1-(2-chlorophenyl)-3-piperidin-4-ylindazole

C18H18ClN3 — CID 14032597

IUPAC1-(2-chlorophenyl)-3-piperidin-4-ylindazole
SMILESClc1ccccc1-n1nc(C2CCNCC2)c2ccccc21
InChIInChI=1S/C18H18ClN3/c19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)13-9-11-20-12-10-13/h1-8,13,20H,9-12H2
InChIKeyWRXIVUQCDGTEKO-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.15
Rot. Bonds2

About 1-(2-chlorophenyl)-3-piperidin-4-ylindazole

1-(2-chlorophenyl)-3-piperidin-4-ylindazole (PubChem CID 14032597) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-piperidin-4-ylindazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-piperidin-4-ylindazole
PubChem CID14032597
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name1-(2-chlorophenyl)-3-piperidin-4-ylindazole
SMILESClc1ccccc1-n1nc(C2CCNCC2)c2ccccc21
InChIInChI=1S/C18H18ClN3/c19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)13-9-11-20-12-10-13/h1-8,13,20H,9-12H2
InChIKeyWRXIVUQCDGTEKO-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587587
4-(2-chlorophenyl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
CID 81488070
1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole
CID 175447209
1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole
CID 15117077
1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 63353590
4-[1-(2-carbamoylphenyl)indazol-3-yl]piperidine-1-carboxamide
CID 23048188
bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride
CID 172813926
1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210825
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
1-(2-chlorophenyl)piperazine
CID 162116490
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-piperidin-4-ylindazole?
The IUPAC name of 1-(2-chlorophenyl)-3-piperidin-4-ylindazole (CID 14032597) is 1-(2-chlorophenyl)-3-piperidin-4-ylindazole.
What is the SMILES notation for 1-(2-chlorophenyl)-3-piperidin-4-ylindazole?
The canonical SMILES for 1-(2-chlorophenyl)-3-piperidin-4-ylindazole is Clc1ccccc1-n1nc(C2CCNCC2)c2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-piperidin-4-ylindazole?
The InChIKey is WRXIVUQCDGTEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)13-9-11-20-12-10-13/h1-8,13,20H,9-12H2.
What are the key properties of 1-(2-chlorophenyl)-3-piperidin-4-ylindazole?
1-(2-chlorophenyl)-3-piperidin-4-ylindazole has a molecular weight of 311.82 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-piperidin-4-ylindazole is sourced from PubChem (CID 14032597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).