(3R)-3-methylpiperidine hydrochloride

• ChemBase ID: 290140
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C[C@H]1CNCCC1.Cl
• Canonical SMILES: C[C@@H]1CCCNC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
• InChIKey: DIJAKMCTWBGMNQ-FYZOBXCZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-methylpiperidine hydrochloride
• IUPAC Traditional name: (3R)-3-methylpiperidine hydrochloride
• Synonyms: (R)-3-Methylpiperidine hydrochloride

Database IDs

• CAS Number: 223792-48-1
• MDL Number: MFCD22494946
• PubChem SID: 180675671
• PubChem CID: 70357324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2122042
• LogD (pH = 7.4): -1.8473892
• Log P: 1.0224605
• Molar Refractivity: 31.307 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+%