N-(piperidin-4-yl)pentanamide hydrochloride

• ChemBase ID: 258081
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(NC1CCNCC1)CCCC.Cl
• Canonical SMILES: CCCCC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-2-3-4-10(13)12-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
• InChIKey: YMFGZAHGYDMUIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)pentanamide hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)pentanamide hydrochloride
• Synonyms: N-(piperidin-4-yl)pentanamide hydrochloride

Database IDs

• MDL Number: MFCD11811766
• PubChem SID: 164313991
• PubChem CID: 21386724

CALCULATED PROPERTIES

• Acid pKa: 16.243984
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.793388
• LogD (pH = 7.4): -2.1090786
• Log P: 0.42681912
• Molar Refractivity: 53.3479 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 0.121

Product Information

• Purity: 95%