1-(piperidin-4-yl)-1H-indazole

• ChemBase ID: 294730
• Molecular Formular: C12H15N3
• Molecular Mass: 201.2676
• Monoisotopic Mass: 201.1265975
• SMILES: n1(C2CCNCC2)ncc2c1cccc2
• Canonical SMILES: N1CCC(CC1)n1ncc2c1cccc2
• InChI: InChI=1S/C12H15N3/c1-2-4-12-10(3-1)9-14-15(12)11-5-7-13-8-6-11/h1-4,9,11,13H,5-8H2
• InChIKey: AEODUXMQHQNEAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-1H-indazole
• IUPAC Traditional name: 1-(piperidin-4-yl)indazole
• Synonyms: 1-(Piperidin-4-yl)-1H-indazole

Database IDs

• CAS Number: 170438-69-4
• MDL Number: MFCD11869994
• PubChem SID: 180680261
• PubChem CID: 23014427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.160576
• LogD (pH = 7.4): -1.5447036
• Log P: 1.0637419
• Molar Refractivity: 71.4455 cm^3
• Polarizability: 24.616314 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%