1-(2-ethylphenyl)piperidin-4-amine

• ChemBase ID: 265957
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(c2c(CC)cccc2)CCC(CC1)N
• Canonical SMILES: CCc1ccccc1N1CCC(CC1)N
• InChI: InChI=1S/C13H20N2/c1-2-11-5-3-4-6-13(11)15-9-7-12(14)8-10-15/h3-6,12H,2,7-10,14H2,1H3
• InChIKey: LDWSLWFCUFKQPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethylphenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-ethylphenyl)piperidin-4-amine
• Synonyms: 1-(2-ethylphenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09939598
• PubChem SID: 164321867
• PubChem CID: 24700581

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.82268703
• LogD (pH = 7.4): -0.23554768
• Log P: 2.2504575
• Molar Refractivity: 65.5106 cm^3
• Polarizability: 25.11726 Å^3
• Polar Surface Area: 29.26 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.021

Product Information

• Purity: 95%