[(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine dihydrochloride

• ChemBase ID: 15833
• Molecular Formular: C15H26Cl2N2
• Molecular Mass: 305.28634
• Monoisotopic Mass: 304.1473042
• SMILES: C1(CCN(CC1)C)CNCCc1ccccc1.Cl.Cl
• Canonical SMILES: CN1CCC(CC1)CNCCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-17-11-8-15(9-12-17)13-16-10-7-14-5-3-2-4-6-14;;/h2-6,15-16H,7-13H2,1H3;2*1H
• InChIKey: ILGXYIUXABZXGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine dihydrochloride
• IUPAC Traditional name: [(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine dihydrochloride
• Synonyms: N-[(1-Methylpiperidin-4-yl)methyl]-2-phenylethanamine dihydrochloride

Database IDs

• MDL Number: MFCD06801082
• PubChem SID: 160979140
• PubChem CID: 45075077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2702813
• LogD (pH = 7.4): -2.5164454
• Log P: 2.3076627
• Molar Refractivity: 74.3301 cm^3
• Polarizability: 29.216145 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false