2-Phenyl-3-(piperidin-4-yl)-1H-indole - ≥97% , CAS No.221109-26-8

CAS: 221109-26-8 Cat. No.: P710392 Molecular Weight: 276.38 PubChem CID: 9882067
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
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Size
Status
Price
Qty
100mg
P710392-100mg
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
Canonical SmilesC1CNCCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
IUPAC Name2-phenyl-3-piperidin-4-yl-1H-indole
InChIKeyFWPAVENSJPMGJO-UHFFFAOYSA-N
INCHI1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
Isomeric SMILES C1CNCCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
PubChem CID 9882067
Molecular Weight 276.38

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct Parent2-phenylindoles
Alternative Parents Phenylpyrroles  3-alkylindoles  Aralkylamines  Piperidines  Benzene and substituted derivatives  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-phenylindole - 2-phenylpyrrole - 3-alkylindole - Aralkylamine - Monocyclic benzene moiety - Piperidine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HTR2A Tclin 5-hydroxytryptamine receptor 2A (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2 receptors; 5-HT2a & 5-HT2c (792 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Adra1b Adrenergic receptor alpha-1 (5652 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight276.400 g/mol
XLogP33.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass276.163 Da
Monoisotopic Mass276.163 Da
Topological Polar Surface Area27.800 Ų
Heavy Atom Count21
Formal Charge0
Complexity330.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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