2-(1-ethylpiperidin-4-yl)ethan-1-amine

• ChemBase ID: 282693
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)CCN)CC
• Canonical SMILES: NCCC1CCN(CC1)CC
• InChI: InChI=1S/C9H20N2/c1-2-11-7-4-9(3-6-10)5-8-11/h9H,2-8,10H2,1H3
• InChIKey: UXANJKWCNDPIDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)ethanamine
• Synonyms: 2-(1-ethylpiperidin-4-yl)ethan-1-amine; 2-(1-ethylpiperidin-4-yl)ethanamine

Database IDs

• CAS Number: 720001-91-2
• MDL Number: MFCD08059793
• PubChem SID: 180668224
• PubChem CID: 21643902

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.85064
• LogD (pH = 7.4): -4.23611
• Log P: 0.5853709
• Molar Refractivity: 49.6145 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.071

Product Information

• Purity: 95%