1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine

C15H23ClN2O2S — CID 71991602

IUPAC1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
SMILESCC(c1ccc(Cl)cc1)N1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-13(14-3-5-15(16)6-4-14)18-9-7-17(8-10-18)11-12-21(2,19)20/h3-6,13H,7-12H2,1-2H3
InChIKeyRUZVFKRWUZCORK-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.06
Rot. Bonds5

About 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine

1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine (PubChem CID 71991602) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
PubChem CID71991602
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
SMILESCC(c1ccc(Cl)cc1)N1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-13(14-3-5-15(16)6-4-14)18-9-7-17(8-10-18)11-12-21(2,19)20/h3-6,13H,7-12H2,1-2H3
InChIKeyRUZVFKRWUZCORK-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65055428
4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
CID 60560934
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 95347302
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982893
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]propan-1-one
CID 56544883
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline
CID 61262027

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine (CID 71991602) is 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine is CC(c1ccc(Cl)cc1)N1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is RUZVFKRWUZCORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-13(14-3-5-15(16)6-4-14)18-9-7-17(8-10-18)11-12-21(2,19)20/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine?
1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 330.88 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 71991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).