N,N-dipropylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 49003
• Molecular Formular: C12H25ClN2O
• Molecular Mass: 248.7927
• Monoisotopic Mass: 248.16554111
• SMILES: C(=O)(N(CCC)CCC)C1CCNCC1.Cl
• Canonical SMILES: CCCN(C(=O)C1CCNCC1)CCC.Cl
• InChI: InChI=1S/C12H24N2O.ClH/c1-3-9-14(10-4-2)12(15)11-5-7-13-8-6-11;/h11,13H,3-10H2,1-2H3;1H
• InChIKey: VAGIMSPXCXBLAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dipropylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dipropylpiperidine-4-carboxamide hydrochloride
• Synonyms: N,N-Dipropyl-4-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562229
• PubChem SID: 162053766
• PubChem CID: 53410679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9466742
• LogD (pH = 7.4): -1.3622332
• Log P: 1.2793024
• Molar Refractivity: 63.2361 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false