4-(4-methyl-1H-pyrazol-1-yl)piperidine

• ChemBase ID: 273768
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(ncc(c1)C)C1CCNCC1
• Canonical SMILES: Cc1cnn(c1)C1CCNCC1
• InChI: InChI=1S/C9H15N3/c1-8-6-11-12(7-8)9-2-4-10-5-3-9/h6-7,9-10H,2-5H2,1H3
• InChIKey: AUBWCQXFDUAVCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methyl-1H-pyrazol-1-yl)piperidine
• IUPAC Traditional name: 4-(4-methylpyrazol-1-yl)piperidine
• Synonyms: 4-(4-methyl-1H-pyrazol-1-yl)piperidine

Database IDs

• MDL Number: MFCD14632021
• PubChem SID: 164329678
• PubChem CID: 52168301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.666134
• LogD (pH = 7.4): -2.050189
• Log P: 0.5582855
• Molar Refractivity: 60.159 cm^3
• Polarizability: 18.823202 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.138

Product Information

• Purity: 95%