4-methyl-1-(piperidin-2-ylmethyl)piperidine dihydrochloride

• ChemBase ID: 48188
• Molecular Formular: C12H26Cl2N2
• Molecular Mass: 269.25424
• Monoisotopic Mass: 268.1473042
• SMILES: N1(CC2NCCCC2)CCC(CC1)C.Cl.Cl
• Canonical SMILES: CC1CCN(CC1)CC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C12H24N2.2ClH/c1-11-5-8-14(9-6-11)10-12-4-2-3-7-13-12;;/h11-13H,2-10H2,1H3;2*1H
• InChIKey: POQUWMXCZCRSNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(piperidin-2-ylmethyl)piperidine dihydrochloride
• IUPAC Traditional name: 4-methyl-1-(piperidin-2-ylmethyl)piperidine dihydrochloride
• Synonyms: 4-Methyl-1-(2-piperidinylmethyl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561728
• PubChem SID: 162052951
• PubChem CID: 56831748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0463705
• LogD (pH = 7.4): -0.7621689
• Log P: 1.8732845
• Molar Refractivity: 61.2153 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false