1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-amine dihydrochloride

• ChemBase ID: 124349
• Molecular Formular: C14H24Cl2N2O2
• Molecular Mass: 323.25856
• Monoisotopic Mass: 322.12148338
• SMILES: N1(Cc2cc(c(cc2)OC)OC)CCC(CC1)N.Cl.Cl
• Canonical SMILES: COc1cc(ccc1OC)CN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C14H22N2O2.2ClH/c1-17-13-4-3-11(9-14(13)18-2)10-16-7-5-12(15)6-8-16;;/h3-4,9,12H,5-8,10,15H2,1-2H3;2*1H
• InChIKey: YVYSIRHDGWOGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-amine dihydrochloride
• Synonyms: 1-(3,4-dimethoxybenzyl)piperidin-4-amine dihydrochloride

Database IDs

• PubChem SID: 162218702
• PubChem CID: 22748874

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8521209
• LogD (pH = 7.4): -2.084266
• Log P: 0.81047785
• Molar Refractivity: 72.9089 cm^3
• Polarizability: 28.736464 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl