1-piperidin-4-ylindazole;hydrochloride

C12H16ClN3 — CID 126485954

IUPAC1-piperidin-4-ylindazole;hydrochloride
SMILESCl.c1ccc2c(c1)cnn2C1CCNCC1
InChIInChI=1S/C12H15N3.ClH/c1-2-4-12-10(3-1)9-14-15(12)11-5-7-13-8-6-11;/h1-4,9,11,13H,5-8H2;1H
InChIKeyVJPIRTFWGAPJEB-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.38
Rot. Bonds1

About 1-piperidin-4-ylindazole;hydrochloride

1-piperidin-4-ylindazole;hydrochloride (PubChem CID 126485954) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-piperidin-4-ylindazole;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-ylindazole;hydrochloride
PubChem CID126485954
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-piperidin-4-ylindazole;hydrochloride
SMILESCl.c1ccc2c(c1)cnn2C1CCNCC1
InChIInChI=1S/C12H15N3.ClH/c1-2-4-12-10(3-1)9-14-15(12)11-5-7-13-8-6-11;/h1-4,9,11,13H,5-8H2;1H
InChIKeyVJPIRTFWGAPJEB-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-4-ylindazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylindazole;hydrochloride?
The IUPAC name of 1-piperidin-4-ylindazole;hydrochloride (CID 126485954) is 1-piperidin-4-ylindazole;hydrochloride.
What is the SMILES notation for 1-piperidin-4-ylindazole;hydrochloride?
The canonical SMILES for 1-piperidin-4-ylindazole;hydrochloride is Cl.c1ccc2c(c1)cnn2C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylindazole;hydrochloride?
The InChIKey is VJPIRTFWGAPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-2-4-12-10(3-1)9-14-15(12)11-5-7-13-8-6-11;/h1-4,9,11,13H,5-8H2;1H.
What are the key properties of 1-piperidin-4-ylindazole;hydrochloride?
1-piperidin-4-ylindazole;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylindazole;hydrochloride is sourced from PubChem (CID 126485954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).