N,N-diethylpiperidine-2-carboxamide hydrochloride

• ChemBase ID: 48931
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(N(CC)CC)C1NCCCC1.Cl
• Canonical SMILES: CCN(C(=O)C1CCCCN1)CC.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-3-12(4-2)10(13)9-7-5-6-8-11-9;/h9,11H,3-8H2,1-2H3;1H
• InChIKey: JASFCJCCTLIXLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpiperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N-diethylpiperidine-2-carboxamide hydrochloride
• Synonyms: N,N-Diethyl-2-piperidinecarboxamide hydrochloride

Database IDs

• CAS Number: 690634-81-2
• MDL Number: MFCD09999010
• PubChem SID: 162053694
• PubChem CID: 14810942

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3086002
• LogD (pH = 7.4): -0.7974384
• Log P: 0.7014527
• Molar Refractivity: 53.7781 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