1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine

C15H23ClN2O2S — CID 75379331

IUPAC1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine
SMILESCC(CN1CCN(c2ccc(Cl)cc2)CC1)CS(C)(=O)=O
InChIInChI=1S/C15H23ClN2O2S/c1-13(12-21(2,19)20)11-17-7-9-18(10-8-17)15-5-3-14(16)4-6-15/h3-6,13H,7-12H2,1-2H3
InChIKeyLGROEBIZNSHTOO-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine

1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine (PubChem CID 75379331) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine
PubChem CID75379331
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine
SMILESCC(CN1CCN(c2ccc(Cl)cc2)CC1)CS(C)(=O)=O
InChIInChI=1S/C15H23ClN2O2S/c1-13(12-21(2,19)20)11-17-7-9-18(10-8-17)15-5-3-14(16)4-6-15/h3-6,13H,7-12H2,1-2H3
InChIKeyLGROEBIZNSHTOO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
CID 782883
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropanenitrile
CID 43367389
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-[4-(2-methylpentyl)piperazin-1-yl]aniline
CID 62265544
1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
CID 90407356
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
CID 62477828
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 3583119
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine (CID 75379331) is 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine is CC(CN1CCN(c2ccc(Cl)cc2)CC1)CS(C)(=O)=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine?
The InChIKey is LGROEBIZNSHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-13(12-21(2,19)20)11-17-7-9-18(10-8-17)15-5-3-14(16)4-6-15/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine?
1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine has a molecular weight of 330.88 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 75379331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).