4-methyl-1-(piperidin-4-yl)piperidine hydrochloride

• ChemBase ID: 24608
• Molecular Formular: C11H23ClN2
• Molecular Mass: 218.76672
• Monoisotopic Mass: 218.15497643
• SMILES: N1(C2CCNCC2)CCC(CC1)C.Cl
• Canonical SMILES: CC1CCN(CC1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2.ClH/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11;/h10-12H,2-9H2,1H3;1H
• InChIKey: VZZZNEWHRINDDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(piperidin-4-yl)piperidine hydrochloride
• IUPAC Traditional name: 4-methyl-1-(piperidin-4-yl)piperidine hydrochloride
• Synonyms: 4-Methyl-1,4'-bipiperidine hydrochloride

Database IDs

• CAS Number: 116797-02-5
• MDL Number: MFCD17676095
• PubChem SID: 160987915
• PubChem CID: 56829415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.96307
• LogD (pH = 7.4): -2.910813
• Log P: 0.9713129
• Molar Refractivity: 56.8351 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false