(2S)-2-ethylpiperidine

• ChemBase ID: 797274
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1CCN[C@H](C1)CC
• Canonical SMILES: CC[C@H]1CCCCN1
• InChI: InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
• InChIKey: QBBKKFZGCDJDQK-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-ethylpiperidine
• IUPAC Traditional name: (2S)-2-ethylpiperidine
• Synonyms: (S)-2-Ethylpiperidine

Database IDs

• CAS Number: 34272-40-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6393735
• LogD (pH = 7.4): -1.319927
• Log P: 1.596585
• Molar Refractivity: 35.7782 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%