4-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride

• ChemBase ID: 48131
• Molecular Formular: C13H28Cl2N2
• Molecular Mass: 283.28082
• Monoisotopic Mass: 282.16295427
• SMILES: N1(CCC2CCNCC2)CCC(CC1)C.Cl.Cl
• Canonical SMILES: CC1CCN(CC1)CCC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C13H26N2.2ClH/c1-12-4-9-15(10-5-12)11-6-13-2-7-14-8-3-13;;/h12-14H,2-11H2,1H3;2*1H
• InChIKey: PFOOZWOMEMODDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride
• IUPAC Traditional name: 4-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride
• Synonyms: 4-Methyl-1-[2-(4-piperidinyl)ethyl]piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561671
• PubChem SID: 162052894
• PubChem CID: 56831696

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.907253
• LogD (pH = 7.4): -3.6910102
• Log P: 1.7985286
• Molar Refractivity: 66.3311 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false