1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride

C15H22ClN3 — CID 134494420

IUPAC1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride
SMILESCc1cc(C)c2c(C3CCNCC3)nn(C)c2c1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-10-8-11(2)14-13(9-10)18(3)17-15(14)12-4-6-16-7-5-12;/h8-9,12,16H,4-7H2,1-3H3;1H
InChIKeyFDYRNRCMKJIJOE-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.08
Rot. Bonds1

About 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride

1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride (PubChem CID 134494420) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride.

Molecular Properties

Compound Name1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride
PubChem CID134494420
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride
SMILESCc1cc(C)c2c(C3CCNCC3)nn(C)c2c1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-10-8-11(2)14-13(9-10)18(3)17-15(14)12-4-6-16-7-5-12;/h8-9,12,16H,4-7H2,1-3H3;1H
InChIKeyFDYRNRCMKJIJOE-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride?
The IUPAC name of 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride (CID 134494420) is 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride.
What is the SMILES notation for 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride?
The canonical SMILES for 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride is Cc1cc(C)c2c(C3CCNCC3)nn(C)c2c1.Cl.
What is the InChIKey of 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride?
The InChIKey is FDYRNRCMKJIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-10-8-11(2)14-13(9-10)18(3)17-15(14)12-4-6-16-7-5-12;/h8-9,12,16H,4-7H2,1-3H3;1H.
What are the key properties of 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride?
1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride is sourced from PubChem (CID 134494420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).