N,N-dimethylpiperidine-3-carboxamide hydrochloride

• ChemBase ID: 48958
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(C1CNCCC1)N(C)C.Cl
• Canonical SMILES: O=C(C1CCCNC1)N(C)C.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-10(2)8(11)7-4-3-5-9-6-7;/h7,9H,3-6H2,1-2H3;1H
• InChIKey: CAOCILIXPFSSGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylpiperidine-3-carboxamide hydrochloride
• Synonyms: N,N-dimethylpiperidine-3-carboxamide hydrochloride; N,N-Dimethyl-3-piperidinecarboxamide hydrochloride

Database IDs

• CAS Number: 6270-42-4
• MDL Number: MFCD07781029
• PubChem SID: 162053721
• PubChem CID: 47002385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5094488
• LogD (pH = 7.4): -2.4910288
• Log P: -0.32345086
• Molar Refractivity: 44.5369 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.049

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%