N,N-dimethylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 48987
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(N(C)C)C1CCNCC1.Cl
• Canonical SMILES: CN(C(=O)C1CCNCC1)C.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-10(2)8(11)7-3-5-9-6-4-7;/h7,9H,3-6H2,1-2H3;1H
• InChIKey: AQEDPORECJZBIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylpiperidine-4-carboxamide hydrochloride
• Synonyms: N,N-Dimethyl-4-piperidinecarboxamide hydrochloride; N,N-dimethylpiperidine-4-carboxamide hydrochloride

Database IDs

• CAS Number: 6270-42-4
• MDL Number: MFCD07781032
• PubChem SID: 162053750
• PubChem CID: 19872414

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.70533
• LogD (pH = 7.4): -3.120894
• Log P: -0.47935832
• Molar Refractivity: 44.6909 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

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -1.19

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%