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

• ChemBase ID: 243636
• Molecular Formular: C15H23ClN2O
• Molecular Mass: 282.80892
• Monoisotopic Mass: 282.14989105
• SMILES: C(=O)(N1CC(CCC1)C)CC(c1ccccc1)N.Cl
• Canonical SMILES: CC1CCCN(C1)C(=O)CC(c1ccccc1)N.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c1-12-6-5-9-17(11-12)15(18)10-14(16)13-7-3-2-4-8-13;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3;1H
• InChIKey: DQJQKJIJTKJCKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578723
• PubChem SID: 164299546
• PubChem CID: 71757305

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.068045
• LogD (pH = 7.4): 0.43952993
• Log P: 1.7295258
• Molar Refractivity: 73.2148 cm^3
• Polarizability: 28.91656 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.967

Product Information

• Purity: 95%