1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole

C23H29N5O — CID 10668199

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole
SMILESCOc1ccccc1N1CCN(C2CCCC(n3nnc4ccccc43)C2)CC1
InChIInChI=1S/C23H29N5O/c1-29-23-12-5-4-11-22(23)27-15-13-26(14-16-27)18-7-6-8-19(17-18)28-21-10-3-2-9-20(21)24-25-28/h2-5,9-12,18-19H,6-8,13-17H2,1H3
InChIKeyZBSYTKMCHQSBSC-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.75
Rot. Bonds4

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole (PubChem CID 10668199) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole
PubChem CID10668199
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole
SMILESCOc1ccccc1N1CCN(C2CCCC(n3nnc4ccccc43)C2)CC1
InChIInChI=1S/C23H29N5O/c1-29-23-12-5-4-11-22(23)27-15-13-26(14-16-27)18-7-6-8-19(17-18)28-21-10-3-2-9-20(21)24-25-28/h2-5,9-12,18-19H,6-8,13-17H2,1H3
InChIKeyZBSYTKMCHQSBSC-UHFFFAOYSA-N
XLogP3.75
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole (CID 10668199) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole is COc1ccccc1N1CCN(C2CCCC(n3nnc4ccccc43)C2)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole?
The InChIKey is ZBSYTKMCHQSBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-29-23-12-5-4-11-22(23)27-15-13-26(14-16-27)18-7-6-8-19(17-18)28-21-10-3-2-9-20(21)24-25-28/h2-5,9-12,18-19H,6-8,13-17H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole has a molecular weight of 391.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzotriazole is sourced from PubChem (CID 10668199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).