[1-(pyrazin-2-yl)piperidin-4-yl]methanol

• ChemBase ID: 273013
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: N1(c2nccnc2)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1nccnc1
• InChI: InChI=1S/C10H15N3O/c14-8-9-1-5-13(6-2-9)10-7-11-3-4-12-10/h3-4,7,9,14H,1-2,5-6,8H2
• InChIKey: TVRFEIDTLRYRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyrazin-2-yl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(pyrazin-2-yl)piperidin-4-yl]methanol
• Synonyms: [1-(pyrazin-2-yl)piperidin-4-yl]methanol

Database IDs

• MDL Number: MFCD14588266
• PubChem SID: 164328923
• PubChem CID: 51979938

CALCULATED PROPERTIES

• Acid pKa: 15.46715
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.018949248
• LogD (pH = 7.4): 0.01906126
• Log P: 0.019062692
• Molar Refractivity: 55.0286 cm^3
• Polarizability: 20.621468 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.201

Product Information

• Purity: 95%