2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole

C20H22FN3O — CID 29069062

IUPAC2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole
SMILESFc1cccc(OC2CCN(CCn3cc4ccccc4n3)CC2)c1
InChIInChI=1S/C20H22FN3O/c21-17-5-3-6-19(14-17)25-18-8-10-23(11-9-18)12-13-24-15-16-4-1-2-7-20(16)22-24/h1-7,14-15,18H,8-13H2
InChIKeyYANQEQIWWMLZSG-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole

2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole (PubChem CID 29069062) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole.

Molecular Properties

Compound Name2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole
PubChem CID29069062
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole
SMILESFc1cccc(OC2CCN(CCn3cc4ccccc4n3)CC2)c1
InChIInChI=1S/C20H22FN3O/c21-17-5-3-6-19(14-17)25-18-8-10-23(11-9-18)12-13-24-15-16-4-1-2-7-20(16)22-24/h1-7,14-15,18H,8-13H2
InChIKeyYANQEQIWWMLZSG-UHFFFAOYSA-N
XLogP3.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
The IUPAC name of 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole (CID 29069062) is 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole.
What is the SMILES notation for 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
The canonical SMILES for 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole is Fc1cccc(OC2CCN(CCn3cc4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
The InChIKey is YANQEQIWWMLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-5-3-6-19(14-17)25-18-8-10-23(11-9-18)12-13-24-15-16-4-1-2-7-20(16)22-24/h1-7,14-15,18H,8-13H2.
What are the key properties of 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole has a molecular weight of 339.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl]indazole is sourced from PubChem (CID 29069062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).