3,5-dimethyl-1-(piperidin-4-yl)piperidine dihydrochloride

• ChemBase ID: 259381
• Molecular Formular: C12H26Cl2N2
• Molecular Mass: 269.25424
• Monoisotopic Mass: 268.1473042
• SMILES: N1(CC(CC(C1)C)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CC1CC(C)CN(C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H24N2.2ClH/c1-10-7-11(2)9-14(8-10)12-3-5-13-6-4-12;;/h10-13H,3-9H2,1-2H3;2*1H
• InChIKey: FQZUZEBYDWBBPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-1-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC Traditional name: 3,5-dimethyl-1-(piperidin-4-yl)piperidine dihydrochloride
• Synonyms: 3,5-dimethyl-1-(piperidin-4-yl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD11858032
• PubChem SID: 164315291
• PubChem CID: 42948938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.632502
• LogD (pH = 7.4): -2.7248769
• Log P: 1.4142394
• Molar Refractivity: 61.2297 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 1.771

Product Information

• Purity: 95%