1-[(4-methoxyphenyl)methyl]piperidin-4-amine dihydrochloride

• ChemBase ID: 124348
• Molecular Formular: C13H22Cl2N2O
• Molecular Mass: 293.23258
• Monoisotopic Mass: 292.11091869
• SMILES: N1(Cc2ccc(cc2)OC)CCC(CC1)N.Cl.Cl
• Canonical SMILES: COc1ccc(cc1)CN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C13H20N2O.2ClH/c1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;;/h2-5,12H,6-10,14H2,1H3;2*1H
• InChIKey: KKRQIQMBHGWBLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methoxyphenyl)methyl]piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-[(4-methoxyphenyl)methyl]piperidin-4-amine dihydrochloride
• Synonyms: 1-(4-methoxybenzyl)piperidin-4-amine dihydrochloride

Database IDs

• PubChem SID: 162218701
• PubChem CID: 22748841

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1506166
• LogD (pH = 7.4): -2.1582522
• Log P: 0.9681491
• Molar Refractivity: 66.4457 cm^3
• Polarizability: 26.23408 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl