3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol

C19H27N3O — CID 135736086

IUPAC3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol
SMILESOc1ccc2c(C3CCCC3)nn(CCN3CCCCC3)c2c1
InChIInChI=1S/C19H27N3O/c23-16-8-9-17-18(14-16)22(13-12-21-10-4-1-5-11-21)20-19(17)15-6-2-3-7-15/h8-9,14-15,23H,1-7,10-13H2
InChIKeyZUHNLEIBZNBDEV-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.89
Rot. Bonds4

About 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol

3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol (PubChem CID 135736086) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol
PubChem CID135736086
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol
SMILESOc1ccc2c(C3CCCC3)nn(CCN3CCCCC3)c2c1
InChIInChI=1S/C19H27N3O/c23-16-8-9-17-18(14-16)22(13-12-21-10-4-1-5-11-21)20-19(17)15-6-2-3-7-15/h8-9,14-15,23H,1-7,10-13H2
InChIKeyZUHNLEIBZNBDEV-UHFFFAOYSA-N
XLogP3.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol?
The IUPAC name of 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol (CID 135736086) is 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol.
What is the SMILES notation for 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol?
The canonical SMILES for 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol is Oc1ccc2c(C3CCCC3)nn(CCN3CCCCC3)c2c1.
What is the InChIKey of 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol?
The InChIKey is ZUHNLEIBZNBDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-16-8-9-17-18(14-16)22(13-12-21-10-4-1-5-11-21)20-19(17)15-6-2-3-7-15/h8-9,14-15,23H,1-7,10-13H2.
What are the key properties of 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol?
3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol has a molecular weight of 313.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol is sourced from PubChem (CID 135736086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).