1-[2-(pyridin-4-yl)ethyl]piperidin-4-amine

• ChemBase ID: 267449
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(CCC(CC1)N)CCc1ccncc1
• Canonical SMILES: NC1CCN(CC1)CCc1ccncc1
• InChI: InChI=1S/C12H19N3/c13-12-4-9-15(10-5-12)8-3-11-1-6-14-7-2-11/h1-2,6-7,12H,3-5,8-10,13H2
• InChIKey: YGMSGHHKUDNZRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(pyridin-4-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-[2-(pyridin-4-yl)ethyl]piperidin-4-amine
• Synonyms: 1-[2-(pyridin-4-yl)ethyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD12799504
• PubChem SID: 164323359
• PubChem CID: 47003026

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1729727
• LogD (pH = 7.4): -3.070739
• Log P: 0.19680916
• Molar Refractivity: 62.5806 cm^3
• Polarizability: 24.58542 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%