3-amino-1-(4-methylpiperidin-1-yl)-3-phenylpropan-1-one hydrochloride

• ChemBase ID: 242890
• Molecular Formular: C15H23ClN2O
• Molecular Mass: 282.80892
• Monoisotopic Mass: 282.14989105
• SMILES: C(=O)(N1CCC(CC1)C)CC(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)CC(=O)N1CCC(CC1)C.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c1-12-7-9-17(10-8-12)15(18)11-14(16)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,16H2,1H3;1H
• InChIKey: ZCRGJKHQJVFTSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-(4-methylpiperidin-1-yl)-3-phenylpropan-1-one hydrochloride
• IUPAC Traditional name: 3-amino-1-(4-methylpiperidin-1-yl)-3-phenylpropan-1-one hydrochloride
• Synonyms: 3-amino-1-(4-methylpiperidin-1-yl)-3-phenylpropan-1-one hydrochloride

Database IDs

• MDL Number: MFCD22578535
• PubChem SID: 164298800
• PubChem CID: 71757103

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.1459987
• LogD (pH = 7.4): 0.36157617
• Log P: 1.6515721
• Molar Refractivity: 73.2918 cm^3
• Polarizability: 28.91656 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.967

Product Information

• Purity: 95%