3,4-dimethylpiperidine

• ChemBase ID: 245519
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CC(C(CC1)C)C
• Canonical SMILES: CC1CNCCC1C
• InChI: InChI=1S/C7H15N/c1-6-3-4-8-5-7(6)2/h6-8H,3-5H2,1-2H3
• InChIKey: YNKUJUOSWZNSJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethylpiperidine
• IUPAC Traditional name: 3,4-dimethylpiperidine
• Synonyms: 3,4-dimethylpiperidine

Database IDs

• MDL Number: MFCD13176094
• PubChem SID: 164301429
• PubChem CID: 14454414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9247222
• LogD (pH = 7.4): -1.544793
• Log P: 1.3094796
• Molar Refractivity: 35.8556 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%