N-(1-methylpiperidin-4-yl)-1H-indazol-6-amine

• ChemBase ID: 268283
• Molecular Formular: C13H18N4
• Molecular Mass: 230.30882
• Monoisotopic Mass: 230.1531466
• SMILES: n1[nH]c2c(c1)ccc(c2)NC1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C13H18N4/c1-17-6-4-11(5-7-17)15-12-3-2-10-9-14-16-13(10)8-12/h2-3,8-9,11,15H,4-7H2,1H3,(H,14,16)
• InChIKey: BMXWPHUGOCWWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methylpiperidin-4-yl)-1H-indazol-6-amine
• IUPAC Traditional name: N-(1-methylpiperidin-4-yl)-1H-indazol-6-amine
• Synonyms: N-(1-methylpiperidin-4-yl)-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD01308752
• PubChem SID: 164324193
• PubChem CID: 43743414

CALCULATED PROPERTIES

• Acid pKa: 14.219192
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3080864
• LogD (pH = 7.4): -0.641415
• Log P: 0.79589194
• Molar Refractivity: 71.718 cm^3
• Polarizability: 27.65474 Å^3
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 1.871

Product Information

• Purity: 95%