2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 48875
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: C(=O)(N1CCCCC1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)N1CCCCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O.ClH/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16;/h1,3-4,7-8,13H,2,5-6,9-11,15H2;1H
• InChIKey: FSXJYWJPMIXXGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride
• Synonyms: 2-Amino-3-phenyl-1-(1-piperidinyl)-1-propanone hydrochloride; 2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride; 1-(2-Amino-3-phenyl-1-oxopropyl)piperidine hydrochloride; 2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride

Database IDs

• MDL Number: MFCD09028973
• PubChem SID: 162053638
• PubChem CID: 24761491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.82315284
• LogD (pH = 7.4): 0.87083226
• Log P: 1.5683907
• Molar Refractivity: 68.8739 cm^3
• Polarizability: 27.074112 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 1.466

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%