(Cbz-4-aminomethyl)piperidine - ≥96% , CAS No.132431-09-5

CAS: 132431-09-5 Cat. No.: C181178 Molecular Weight: 248.32

GRADE & PURITY ≥96%

Synonyms

AS-37165 | SCHEMBL3947594 | SY020454 | benzyl N-[(piperidin-4-yl)methyl]carbamate | benzyl piperidin-4-ylmethylcarbamate | EN300-187622 | Carbamic acid,N-(4-piperidinylmethyl)-,phenylmethyl ester | AKOS015998642 | BZHPVEHRXAKHMV-UHFFFAOYSA-N | Carbamic ac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AS-37165 | SCHEMBL3947594 | SY020454 | benzyl N-[(piperidin-4-yl)methyl]carbamate | benzyl piperidin-4-ylmethylcarbamate | EN300-187622 | Carbamic acid, N-(4-piperidinylmethyl)-, phenylmethyl ester | AKOS015998642 | BZHPVEHRXAKHMV-UHFFFAOYSA-N | Carbamic ac

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1CNCCC1CNC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-(piperidin-4-ylmethyl)carbamate
• InChIKey: BZHPVEHRXAKHMV-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O2/c17-14(16-10-12-6-8-15-9-7-12)18-11-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
• Isomeric SMILES: C1CNCCC1CNC(=O)OCC2=CC=CC=C2
• Molecular Weight: 248.32
• Reaxy-Rn: 4255386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4255386&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Piperidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 248.320 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 248.152 Da
• Monoisotopic Mass: 248.152 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1