N-(piperidin-4-yl)butanamide hydrochloride

• ChemBase ID: 257901
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=O)(NC1CCNCC1)CCC.Cl
• Canonical SMILES: CCCC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-2-3-9(12)11-8-4-6-10-7-5-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
• InChIKey: DEMVPAVLIPMCIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11811767
• PubChem SID: 164313811
• PubChem CID: 20569902

CALCULATED PROPERTIES

• Acid pKa: 16.203682
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2379549
• LogD (pH = 7.4): -2.5536473
• Log P: -0.017749561
• Molar Refractivity: 48.7469 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

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): -0.408

Product Information

• Purity: 95%