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

• ChemBase ID: 11635
• Molecular Formular: C11H23ClN2
• Molecular Mass: 218.76672
• Monoisotopic Mass: 218.15497643
• SMILES: N1(CC(CCC1)C)C1CCNCC1.Cl
• Canonical SMILES: CC1CCCN(C1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2.ClH/c1-10-3-2-8-13(9-10)11-4-6-12-7-5-11;/h10-12H,2-9H2,1H3;1H
• InChIKey: GEJPJAVUIOTAGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(piperidin-4-yl)piperidine hydrochloride
• IUPAC Traditional name: 3-methyl-1-(piperidin-4-yl)piperidine hydrochloride
• Synonyms: 3-Methyl-[1,4']bipiperidinyl hydrochloride

Database IDs

• MDL Number: MFCD06800994
• PubChem SID: 160974942
• PubChem CID: 45074782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.932688
• LogD (pH = 7.4): -2.94131
• Log P: 1.0492666
• Molar Refractivity: 56.7581 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