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

• ChemBase ID: 268201
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1CCC(CCN)CC1
• Canonical SMILES: NCCC1CCNCC1
• InChI: InChI=1S/C7H16N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-6,8H2
• InChIKey: PXJBCMWIAPDWAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01630746
• PubChem SID: 164324111
• PubChem CID: 1512602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.4098735
• LogD (pH = 7.4): -5.528481
• Log P: -0.15448499
• Molar Refractivity: 39.5712 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.096

Product Information

• Purity: 95%