N,N-diethylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 48989
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(N(CC)CC)C1CCNCC1.Cl
• Canonical SMILES: CCN(C(=O)C1CCNCC1)CC.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-3-12(4-2)10(13)9-5-7-11-8-6-9;/h9,11H,3-8H2,1-2H3;1H
• InChIKey: JTRZTWHLRLJRSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N,N-diethylpiperidine-4-carboxamide hydrochloride
• Synonyms: N,N-Diethyl-4-piperidinecarboxamide hydrochloride

Database IDs

• CAS Number: 95389-83-6
• MDL Number: MFCD11615738
• PubChem SID: 162053752
• PubChem CID: 22591373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.991715
• LogD (pH = 7.4): -2.4072778
• Log P: 0.2342576
• Molar Refractivity: 54.1881 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false