N,N-dimethylpiperidine-4-carboxamide

• ChemBase ID: 116050
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(N(C)C)C1CCNCC1
• Canonical SMILES: CN(C(=O)C1CCNCC1)C
• InChI: InChI=1S/C8H16N2O/c1-10(2)8(11)7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3
• InChIKey: XGABIOSYJHFORX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1903-68-0
• MDL Number: MFCD07781032; MFCD03372521
• PubChem SID: 162100751
• PubChem CID: 411689

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

• Partition Coefficient: -0.3
• Hydrophobicity(logP): -1.19

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl