1-[1-(pyridin-4-yl)ethyl]piperidin-4-amine

• ChemBase ID: 241607
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(C(c2ccncc2)C)CCC(CC1)N
• Canonical SMILES: CC(c1ccncc1)N1CCC(CC1)N
• InChI: InChI=1S/C12H19N3/c1-10(11-2-6-14-7-3-11)15-8-4-12(13)5-9-15/h2-3,6-7,10,12H,4-5,8-9,13H2,1H3
• InChIKey: BSKFVHPAVOWLBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(pyridin-4-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-[1-(pyridin-4-yl)ethyl]piperidin-4-amine
• Synonyms: 1-[1-(pyridin-4-yl)ethyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD11199036
• PubChem SID: 164297517
• PubChem CID: 43130812

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.9437757
• LogD (pH = 7.4): -2.9066718
• Log P: 0.32472298
• Molar Refractivity: 62.2444 cm^3
• Polarizability: 24.662395 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0060

Product Information

• Purity: 95%