1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-ol

• ChemBase ID: 272278
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1(nccc1)CCN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CCn1cccn1
• InChI: InChI=1S/C10H17N3O/c14-10-2-6-12(7-3-10)8-9-13-5-1-4-11-13/h1,4-5,10,14H,2-3,6-9H2
• InChIKey: AIQHSQKDRHEQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-ol
• IUPAC Traditional name: 1-[2-(pyrazol-1-yl)ethyl]piperidin-4-ol
• Synonyms: 1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-ol

Database IDs

• MDL Number: MFCD16154116
• PubChem SID: 164328188
• PubChem CID: 50990653

CALCULATED PROPERTIES

• Acid pKa: 15.179286
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1111124
• LogD (pH = 7.4): -1.3547015
• Log P: -0.26219
• Molar Refractivity: 66.7048 cm^3
• Polarizability: 21.365114 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.704

Product Information

• Purity: 95%