1-(pyridin-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

• ChemBase ID: 241632
• Molecular Formular: C14H18N4S
• Molecular Mass: 274.38452
• Monoisotopic Mass: 274.1252176
• SMILES: N1(c2ncccc2)CCC(NCc2ncsc2)CC1
• Canonical SMILES: c1ccc(nc1)N1CCC(CC1)NCc1cscn1
• InChI: InChI=1S/C14H18N4S/c1-2-6-15-14(3-1)18-7-4-12(5-8-18)16-9-13-10-19-11-17-13/h1-3,6,10-12,16H,4-5,7-9H2
• InChIKey: OZXQOHYYKLIKJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
• Synonyms: 1-(pyridin-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD13217907
• PubChem SID: 164297542
• PubChem CID: 61171590

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8394889
• LogD (pH = 7.4): 0.7340268
• Log P: 1.5665708
• Molar Refractivity: 78.0984 cm^3
• Polarizability: 29.781235 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.563

Product Information

• Purity: 95%