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

• ChemBase ID: 47960
• Molecular Formular: C12H26Cl2N2
• Molecular Mass: 269.25424
• Monoisotopic Mass: 268.1473042
• SMILES: N1(CC2CCNCC2)C(C)CCCC1.Cl.Cl
• Canonical SMILES: CC1CCCCN1CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H24N2.2ClH/c1-11-4-2-3-9-14(11)10-12-5-7-13-8-6-12;;/h11-13H,2-10H2,1H3;2*1H
• InChIKey: WYCKSTCADPKJBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561518
• PubChem SID: 162052723
• PubChem CID: 56831562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1328316
• LogD (pH = 7.4): -3.9308279
• Log P: 1.5614696
• Molar Refractivity: 61.5233 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