3-ethylpiperidine

• ChemBase ID: 256774
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CC(CC)CCC1
• Canonical SMILES: CCC1CCCNC1
• InChI: InChI=1S/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3
• InChIKey: YLUDSYGJHAQGOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpiperidine
• IUPAC Traditional name: piperidine, 3-ethyl-,
• Synonyms: 3-ethylpiperidine

Database IDs

• MDL Number: MFCD01700577
• PubChem SID: 164312684
• PubChem CID: 202966

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7673615
• LogD (pH = 7.4): -1.393535
• Log P: 1.4670291
• Molar Refractivity: 35.908 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.983

Product Information

• Purity: 95%