5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride

C20H23Cl2N3 — CID 21494216

IUPAC5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
SMILESCC(N1CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21.Cl
InChIInChI=1S/C20H22ClN3.ClH/c1-15(23-12-6-3-7-13-23)24-19-11-10-17(21)14-18(19)20(22-24)16-8-4-2-5-9-16;/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3;1H
InChIKeyWIUVBVCNHHWTAP-UHFFFAOYSA-N
MW376.33 g/mol
LogP5.78
Rot. Bonds3

About 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride

5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride (PubChem CID 21494216) has the molecular formula C20H23Cl2N3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
PubChem CID21494216
Molecular FormulaC20H23Cl2N3
Molecular Weight376.33 g/mol
Exact Mass375.13
IUPAC Name5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
SMILESCC(N1CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21.Cl
InChIInChI=1S/C20H22ClN3.ClH/c1-15(23-12-6-3-7-13-23)24-19-11-10-17(21)14-18(19)20(22-24)16-8-4-2-5-9-16;/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3;1H
InChIKeyWIUVBVCNHHWTAP-UHFFFAOYSA-N
XLogP5.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride?
The IUPAC name of 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride (CID 21494216) is 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride.
What is the SMILES notation for 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride?
The canonical SMILES for 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride is CC(N1CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21.Cl.
What is the InChIKey of 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride?
The InChIKey is WIUVBVCNHHWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3.ClH/c1-15(23-12-6-3-7-13-23)24-19-11-10-17(21)14-18(19)20(22-24)16-8-4-2-5-9-16;/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3;1H.
What are the key properties of 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride?
5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride is sourced from PubChem (CID 21494216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).