1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine

C18H28N2O2S — CID 655359

IUPAC1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine
SMILESCCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
InChIKeyIPCHIQVNMWSZHV-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.68
Rot. Bonds4

About 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine

1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine (PubChem CID 655359) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine
PubChem CID655359
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine
SMILESCCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
InChIKeyIPCHIQVNMWSZHV-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-1-(3-iodobenzylsulfonyl)piperidine
CID 71699218
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
[2-Cyclohexyl-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479874
1-Benzylsulfonyl-4-ethylpiperazine
CID 645383
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
1-(benzylsulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 1151771
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510
1-(Ethylsulfonyl)-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
1-[(3-Methylphenyl)methyl]-4-[(phenylmethyl)sulfonyl]piperazine
CID 8163021

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine (CID 655359) is 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine is CCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine?
The InChIKey is IPCHIQVNMWSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine?
1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine has a molecular weight of 336.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine is sourced from PubChem (CID 655359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).