3-(1-methylpiperidin-4-yl)-1H-indazole

• ChemBase ID: 293037
• Molecular Formular: C13H17N3
• Molecular Mass: 215.29418
• Monoisotopic Mass: 215.14224756
• SMILES: CN1CCC(CC1)c1n[nH]c2ccccc12
• Canonical SMILES: CN1CCC(CC1)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C13H17N3/c1-16-8-6-10(7-9-16)13-11-4-2-3-5-12(11)14-15-13/h2-5,10H,6-9H2,1H3,(H,14,15)
• InChIKey: ANRNAWIFBBHGTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylpiperidin-4-yl)-1H-indazole
• IUPAC Traditional name: 3-(1-methylpiperidin-4-yl)-1H-indazole
• Synonyms: 3-(1-Methylpiperidin-4-yl)-1H-indazole

Database IDs

• CAS Number: 98294-53-2
• PubChem SID: 180678568
• PubChem CID: 14032487

CALCULATED PROPERTIES

• Acid pKa: 14.163628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.194855
• LogD (pH = 7.4): 0.46789056
• Log P: 1.9143037
• Molar Refractivity: 66.3909 cm^3
• Polarizability: 26.463064 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%