5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole

C18H18FN3O — CID 154258498

IUPAC5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole
SMILESFc1ccccc1-c1ccc2[nH]nc(OC3CCNCC3)c2c1
InChIInChI=1S/C18H18FN3O/c19-16-4-2-1-3-14(16)12-5-6-17-15(11-12)18(22-21-17)23-13-7-9-20-10-8-13/h1-6,11,13,20H,7-10H2,(H,21,22)
InChIKeyKVGDPYCREZMRLG-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.50
Rot. Bonds3

About 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole

5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole (PubChem CID 154258498) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole
PubChem CID154258498
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole
SMILESFc1ccccc1-c1ccc2[nH]nc(OC3CCNCC3)c2c1
InChIInChI=1S/C18H18FN3O/c19-16-4-2-1-3-14(16)12-5-6-17-15(11-12)18(22-21-17)23-13-7-9-20-10-8-13/h1-6,11,13,20H,7-10H2,(H,21,22)
InChIKeyKVGDPYCREZMRLG-UHFFFAOYSA-N
XLogP3.50
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole?
The IUPAC name of 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole (CID 154258498) is 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole is Fc1ccccc1-c1ccc2[nH]nc(OC3CCNCC3)c2c1.
What is the InChIKey of 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole?
The InChIKey is KVGDPYCREZMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-16-4-2-1-3-14(16)12-5-6-17-15(11-12)18(22-21-17)23-13-7-9-20-10-8-13/h1-6,11,13,20H,7-10H2,(H,21,22).
What are the key properties of 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole?
5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole has a molecular weight of 311.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-piperidin-4-yloxy-1H-indazole is sourced from PubChem (CID 154258498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).