1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine

C24H32N2O3S — CID 178026947

IUPAC1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
SMILESCOc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-29-22-9-13-24(14-10-22)30(27,28)23-11-7-20(8-12-23)19-25-15-17-26(18-16-25)21-5-3-2-4-6-21/h7-14,21H,2-6,15-19H2,1H3
InChIKeyMOIZBPKFGZPLQV-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.98
Rot. Bonds6

About 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine

1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine (PubChem CID 178026947) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
PubChem CID178026947
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
SMILESCOc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-29-22-9-13-24(14-10-22)30(27,28)23-11-7-20(8-12-23)19-25-15-17-26(18-16-25)21-5-3-2-4-6-21/h7-14,21H,2-6,15-19H2,1H3
InChIKeyMOIZBPKFGZPLQV-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-4-(3-methylcyclopentyl)-1,4-diazepane
CID 75397616
2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile
CID 10275847
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
CID 134794419
3-[(4-methoxyphenyl)methyl]-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 110223932
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725
1-[(2-methoxyphenyl)methyl]-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepane;hydrochloride
CID 24736584

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine (CID 178026947) is 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine is COc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine?
The InChIKey is MOIZBPKFGZPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-29-22-9-13-24(14-10-22)30(27,28)23-11-7-20(8-12-23)19-25-15-17-26(18-16-25)21-5-3-2-4-6-21/h7-14,21H,2-6,15-19H2,1H3.
What are the key properties of 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine?
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine has a molecular weight of 428.60 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine is sourced from PubChem (CID 178026947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).