N-methyl-N-(propan-2-yl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 257393
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(N(C(C)C)C)C1CCNCC1.Cl
• Canonical SMILES: CC(N(C(=O)C1CCNCC1)C)C.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-8(2)12(3)10(13)9-4-6-11-7-5-9;/h8-9,11H,4-7H2,1-3H3;1H
• InChIKey: AXWKONPCNUNHFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(propan-2-yl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-isopropyl-N-methylpiperidine-4-carboxamide hydrochloride
• Synonyms: N-isopropyl-N-methylpiperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD11505416
• PubChem SID: 164313303
• PubChem CID: 42894592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9319477
• LogD (pH = 7.4): -2.3475108
• Log P: 0.29402468
• Molar Refractivity: 53.8583 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 272 - 274°C
• Hydrophobicity(logP): -0.352

Product Information

• Purity: 95%