1-benzoylpiperidin-4-amine hydrochloride

• ChemBase ID: 28451
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: C(=O)(N1CCC(CC1)N)c1ccccc1.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccccc1.Cl
• InChI: InChI=1S/C12H16N2O.ClH/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
• InChIKey: WNPGXFQMWDAUGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-benzoylpiperidin-4-amine hydrochloride
• Synonyms: 1-Benzoylpiperidin-4-amine hydrochloride; (4-aminopiperidin-1-yl)(phenyl)methanone hydrochloride

Database IDs

• CAS Number: 150514-60-6
• MDL Number: MFCD07690605
• PubChem SID: 160991758
• PubChem CID: 16268812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5354111
• LogD (pH = 7.4): -1.9664686
• Log P: 0.48241603
• Molar Refractivity: 60.3116 cm^3
• Polarizability: 23.16496 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -0.187

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl