ethyl[3-(piperidin-4-yl)propyl]amine

• ChemBase ID: 245589
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1CCC(CCCNCC)CC1
• Canonical SMILES: CCNCCCC1CCNCC1
• InChI: InChI=1S/C10H22N2/c1-2-11-7-3-4-10-5-8-12-9-6-10/h10-12H,2-9H2,1H3
• InChIKey: PITIDLARLFISKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(piperidin-4-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(piperidin-4-yl)propyl]amine
• Synonyms: ethyl[3-(piperidin-4-yl)propyl]amine

Database IDs

• MDL Number: MFCD16693232
• PubChem SID: 164301499
• PubChem CID: 62212185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.3884616
• LogD (pH = 7.4): -4.627249
• Log P: 1.0794721
• Molar Refractivity: 53.6954 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.3

Product Information

• Purity: 95%