N-(piperidin-4-yl)propanamide hydrochloride

• ChemBase ID: 45765
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NC1CCNCC1)CC.Cl
• Canonical SMILES: CCC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-2-8(11)10-7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
• InChIKey: AEWBGTYXABSUNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)propanamide hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)propanamide hydrochloride
• Synonyms: N-(4-Piperidinyl)propanamide hydrochloride; N-(piperidin-4-yl)propanamide hydrochloride

Database IDs

• MDL Number: MFCD11809619
• PubChem SID: 162050528
• PubChem CID: 18473176

CALCULATED PROPERTIES

• Acid pKa: 16.159521
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6825228
• LogD (pH = 7.4): -2.998216
• Log P: -0.4623182
• Molar Refractivity: 44.1459 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.937

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%