tert-butyl N-methyl-N-(piperidin-3-yl)carbamate - ≥97% , CAS No.172478-01-2

CAS: 172478-01-2 Cat. No.: T174955 Molecular Weight: 214.309 EC Number: 824-561-3 PubChem CID: 22449166

GRADE & PURITY ≥97%

Synonyms

Z513906286 | DS-11211 | Methyl-piperidin-3-yl-carbamic acid tert-butyl ester | MFCD09878596 | SY018037 | tert-Butyl methyl[(3R)-piperidin-3-yl]carbamate | tert.butyl piperidin-3-yl-methyl-carbamate | N-methyl-N-(piperidin-3-yl) carbamic acid t-butyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Z513906286 | DS-11211 | Methyl-piperidin-3-yl-carbamic acid tert-butyl ester | MFCD09878596 | SY018037 | tert-Butyl methyl[(3R)-piperidin-3-yl]carbamate | tert.butyl piperidin-3-yl-methyl-carbamate | N-methyl-N-(piperidin-3-yl) carbamic acid t-butyl ester

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200146
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200146
• Canonical Smiles: CC(C)(C)OC(=O)N(C)C1CCCNC1
• IUPAC Name: tert-butyl N-methyl-N-piperidin-3-ylcarbamate
• InChIKey: RTXNDTNDOHQMTI-UHFFFAOYSA-N
• INCHI: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-7-12-8-9/h9,12H,5-8H2,1-4H3
• Isomeric SMILES: CC(C)(C)OC(=O)N(C)C1CCCNC1
• PubChem CID: 22449166
• Molecular Weight: 214.309

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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: 214.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.168 Da
• Monoisotopic Mass: 214.168 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1