N-propylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 49293
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=O)(C1CCNCC1)NCCC.Cl
• Canonical SMILES: CCCNC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-2-5-11-9(12)8-3-6-10-7-4-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
• InChIKey: GLWZQQSHLWFSRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-propylpiperidine-4-carboxamide hydrochloride
• Synonyms: N-propylpiperidine-4-carboxamide hydrochloride; N-Propyl-4-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562369
• PubChem SID: 162054056
• PubChem CID: 50988220

CALCULATED PROPERTIES

• Acid pKa: 16.272026
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0496767
• LogD (pH = 7.4): -2.465248
• Log P: 0.17629598
• Molar Refractivity: 49.0668 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.408

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%