{[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl}(pyridin-4-ylmethyl)amine tetrahydrochloride

• ChemBase ID: 15815
• Molecular Formular: C18H34Cl4N4
• Molecular Mass: 448.30136
• Monoisotopic Mass: 446.15375783
• SMILES: C1(CCN(CC1)C1CCN(CC1)C)CNCc1ccncc1.Cl.Cl.Cl.Cl
• Canonical SMILES: CN1CCC(CC1)N1CCC(CC1)CNCc1ccncc1.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C18H30N4.4ClH/c1-21-10-6-18(7-11-21)22-12-4-17(5-13-22)15-20-14-16-2-8-19-9-3-16;;;;/h2-3,8-9,17-18,20H,4-7,10-15H2,1H3;4*1H
• InChIKey: BJERFDCZPFWPPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl}(pyridin-4-ylmethyl)amine tetrahydrochloride
• IUPAC Traditional name: {[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl}(pyridin-4-ylmethyl)amine tetrahydrochloride
• Synonyms: [(1'-Methyl-1,4'-bipiperidin-4-yl)methyl]-(pyridin-4-ylmethyl)amine tetrahydrochloride

Database IDs

• MDL Number: MFCD06800997
• PubChem SID: 160979122
• PubChem CID: 45075067

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -7.410746
• LogD (pH = 7.4): -4.170063
• Log P: 0.8281352
• Molar Refractivity: 92.8693 cm^3
• Polarizability: 36.522003 Å^3
• Polar Surface Area: 31.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false