3-(piperidin-3-yl)propanamide hydrochloride

• ChemBase ID: 143691
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C1CC(CNC1)CCC(=O)N.Cl
• Canonical SMILES: NC(=O)CCC1CCCNC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c9-8(11)4-3-7-2-1-5-10-6-7;/h7,10H,1-6H2,(H2,9,11);1H
• InChIKey: LCLTYOCSMPEFKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-3-yl)propanamide hydrochloride
• IUPAC Traditional name: 3-(piperidin-3-yl)propanamide hydrochloride
• Synonyms: 3-Piperidin-3-ylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13186092
• PubChem SID: 162237908
• PubChem CID: 47000749

CALCULATED PROPERTIES

• Acid pKa: 16.848402
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4424803
• LogD (pH = 7.4): -2.8765376
• Log P: -0.21558656
• Molar Refractivity: 43.9966 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17ClN2O

DETAILS

Sigma Aldrich - CBR00857

Other Notes
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Legal Information
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