ethyl[2-(piperidin-1-yl)ethyl]amine

• ChemBase ID: 307057
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCNCC)CCCCC1
• Canonical SMILES: CCNCCN1CCCCC1
• InChI: InChI=1S/C9H20N2/c1-2-10-6-9-11-7-4-3-5-8-11/h10H,2-9H2,1H3
• InChIKey: XUHUOUMBXWRQQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(piperidin-1-yl)ethyl]amine
• IUPAC Traditional name: ethyl[2-(piperidin-1-yl)ethyl]amine
• Synonyms: N-ethyl-2-piperidin-1-ylethanamine

Database IDs

• CAS Number: 32776-21-9
• MDL Number: MFCD08361609

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6072636
• LogD (pH = 7.4): -1.646706
• Log P: 1.0329401
• Molar Refractivity: 49.6031 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2