5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride

C14H20ClN3 — CID 134494617

IUPAC5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride
SMILESCc1cc(C)c2c(cnn2C2CCNCC2)c1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-10-7-11(2)14-12(8-10)9-16-17(14)13-3-5-15-6-4-13;/h7-9,13,15H,3-6H2,1-2H3;1H
InChIKeyKOWVGUGFPYEDHP-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.00
Rot. Bonds1

About 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride

5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride (PubChem CID 134494617) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride
PubChem CID134494617
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride
SMILESCc1cc(C)c2c(cnn2C2CCNCC2)c1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-10-7-11(2)14-12(8-10)9-16-17(14)13-3-5-15-6-4-13;/h7-9,13,15H,3-6H2,1-2H3;1H
InChIKeyKOWVGUGFPYEDHP-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride?
The IUPAC name of 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride (CID 134494617) is 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride.
What is the SMILES notation for 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride?
The canonical SMILES for 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride is Cc1cc(C)c2c(cnn2C2CCNCC2)c1.Cl.
What is the InChIKey of 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride?
The InChIKey is KOWVGUGFPYEDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-10-7-11(2)14-12(8-10)9-16-17(14)13-3-5-15-6-4-13;/h7-9,13,15H,3-6H2,1-2H3;1H.
What are the key properties of 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride?
5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride is sourced from PubChem (CID 134494617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).