2,5-dimethylpiperidine

• ChemBase ID: 284104
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CC(CCC1C)C
• Canonical SMILES: CC1CCC(CN1)C
• InChI: InChI=1S/C7H15N/c1-6-3-4-7(2)8-5-6/h6-8H,3-5H2,1-2H3
• InChIKey: ICBFNPPCXPMCBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpiperidine
• IUPAC Traditional name: 2,5-dimethylpiperidine
• Synonyms: 2,5-dimethylpiperidine

Database IDs

• MDL Number: MFCD20306611
• PubChem SID: 180669635
• PubChem CID: 524018

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7969143
• LogD (pH = 7.4): -1.4771407
• Log P: 1.4390355
• Molar Refractivity: 35.7258 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%