1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole

C19H22N4 — CID 23194183

IUPAC1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole
SMILESCc1cccc(N2CCN(Cn3ncc4ccccc43)CC2)c1
InChIInChI=1S/C19H22N4/c1-16-5-4-7-18(13-16)22-11-9-21(10-12-22)15-23-19-8-3-2-6-17(19)14-20-23/h2-8,13-14H,9-12,15H2,1H3
InChIKeyLXDQOWJAXABFSZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.12
Rot. Bonds3

About 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole

1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole (PubChem CID 23194183) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole.

Molecular Properties

Compound Name1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole
PubChem CID23194183
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole
SMILESCc1cccc(N2CCN(Cn3ncc4ccccc43)CC2)c1
InChIInChI=1S/C19H22N4/c1-16-5-4-7-18(13-16)22-11-9-21(10-12-22)15-23-19-8-3-2-6-17(19)14-20-23/h2-8,13-14H,9-12,15H2,1H3
InChIKeyLXDQOWJAXABFSZ-UHFFFAOYSA-N
XLogP3.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
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1-(3-methylphenyl)-4-(morpholin-4-ylmethyl)tetrazole-5-thione
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(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione
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2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole?
The IUPAC name of 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole (CID 23194183) is 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole.
What is the SMILES notation for 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole?
The canonical SMILES for 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole is Cc1cccc(N2CCN(Cn3ncc4ccccc43)CC2)c1.
What is the InChIKey of 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole?
The InChIKey is LXDQOWJAXABFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-16-5-4-7-18(13-16)22-11-9-21(10-12-22)15-23-19-8-3-2-6-17(19)14-20-23/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole?
1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole has a molecular weight of 306.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]indazole is sourced from PubChem (CID 23194183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).