1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine

C18H28N2O3S — CID 120763181

IUPAC1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-23-18-10-6-5-9-16(18)17-13-19-11-12-20(17)24(21,22)14-15-7-3-2-4-8-15/h5-6,9-10,15,17,19H,2-4,7-8,11-14H2,1H3
InChIKeyBXZIHPOTQZRUOQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.55
Rot. Bonds5

About 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine

1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine (PubChem CID 120763181) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
PubChem CID120763181
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-23-18-10-6-5-9-16(18)17-13-19-11-12-20(17)24(21,22)14-15-7-3-2-4-8-15/h5-6,9-10,15,17,19H,2-4,7-8,11-14H2,1H3
InChIKeyBXZIHPOTQZRUOQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 120763133
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
2-(2-methoxyphenyl)-1-[(3-nitrophenyl)methylsulfonyl]piperazine;hydrochloride
CID 120763348
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine (CID 120763181) is 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine is COc1ccccc1C1CNCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine?
The InChIKey is BXZIHPOTQZRUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-23-18-10-6-5-9-16(18)17-13-19-11-12-20(17)24(21,22)14-15-7-3-2-4-8-15/h5-6,9-10,15,17,19H,2-4,7-8,11-14H2,1H3.
What are the key properties of 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine?
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine has a molecular weight of 352.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 120763181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).