2-methylpiperidine hydrochloride

• ChemBase ID: 289677
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: CC1NCCCC1.Cl
• Canonical SMILES: CC1CCCCN1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6-4-2-3-5-7-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: BILCQNXKQKRGAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpiperidine hydrochloride
• IUPAC Traditional name: 2-methylpiperidine hydrochloride
• Synonyms: 2-Methylpiperidine hydrochloride

Database IDs

• CAS Number: 5119-88-0
• MDL Number: MFCD00465817
• PubChem SID: 180675208
• PubChem CID: 12231239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.160124
• LogD (pH = 7.4): -1.7797133
• Log P: 1.0740627
• Molar Refractivity: 31.2542 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%