N,N-dimethylpiperidine-2-carboxamide hydrochloride

• ChemBase ID: 48929
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(N(C)C)C1NCCCC1.Cl
• Canonical SMILES: O=C(C1CCCCN1)N(C)C.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-10(2)8(11)7-5-3-4-6-9-7;/h7,9H,3-6H2,1-2H3;1H
• InChIKey: QWNVOIVIJWGHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylpiperidine-2-carboxamide hydrochloride
• Synonyms: N,N-Dimethyl-2-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562175
• PubChem SID: 162053692
• PubChem CID: 14810941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.022574
• LogD (pH = 7.4): -1.511878
• Log P: -0.0121632265
• Molar Refractivity: 44.2809 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false