3,3-diethylpiperidine

• ChemBase ID: 274438
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N1CC(CC)(CC)CCC1
• Canonical SMILES: CCC1(CC)CCCNC1
• InChI: InChI=1S/C9H19N/c1-3-9(4-2)6-5-7-10-8-9/h10H,3-8H2,1-2H3
• InChIKey: VDUWZZPSIPFMAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diethylpiperidine
• IUPAC Traditional name: 3,3-diethylpiperidine
• Synonyms: 3,3-diethylpiperidine

Database IDs

• MDL Number: MFCD14582406
• PubChem SID: 164330348
• PubChem CID: 13106452

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.94280297
• LogD (pH = 7.4): -0.5087957
• Log P: 2.2895987
• Molar Refractivity: 44.9071 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.031

Product Information

• Purity: 95%