(3S)-3-methylpiperidine

• ChemBase ID: 286663
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: N1C[C@@H](C)CCC1
• Canonical SMILES: C[C@H]1CCCNC1
• InChI: InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
• InChIKey: JEGMWWXJUXDNJN-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-methylpiperidine
• IUPAC Traditional name: (3S)-3-methylpiperidine
• Synonyms: (3S)-3-methylpiperidine

Database IDs

• MDL Number: MFCD08448244
• PubChem SID: 180672194
• PubChem CID: 641100

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

Physical Property

• Hydrophobicity(logP): 1.454

Product Information

• Purity: 95%