ethyl(2-methylpropyl)[2-(piperidin-4-yl)ethyl]amine

• ChemBase ID: 246328
• Molecular Formular: C13H28N2
• Molecular Mass: 212.37482
• Monoisotopic Mass: 212.22524891
• SMILES: N1CCC(CCN(CC(C)C)CC)CC1
• Canonical SMILES: CCN(CC(C)C)CCC1CCNCC1
• InChI: InChI=1S/C13H28N2/c1-4-15(11-12(2)3)10-7-13-5-8-14-9-6-13/h12-14H,4-11H2,1-3H3
• InChIKey: DKKRKFKBQLKSPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-methylpropyl)[2-(piperidin-4-yl)ethyl]amine
• IUPAC Traditional name: ethyl(2-methylpropyl)[2-(piperidin-4-yl)ethyl]amine
• Synonyms: ethyl(2-methylpropyl)[2-(piperidin-4-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11628613
• PubChem SID: 164302238
• PubChem CID: 43273793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4639807
• LogD (pH = 7.4): -3.6637318
• Log P: 2.2622545
• Molar Refractivity: 68.1333 cm^3
• Polarizability: 27.04461 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.764

Product Information

• Purity: 95%