1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine

C16H24ClN3O2S — CID 991659

IUPAC1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O2S/c1-14-5-6-15(13-16(14)17)18-9-11-20(12-10-18)23(21,22)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKeyCEIXBKJZNWNJLH-UHFFFAOYSA-N
MW357.91 g/mol
LogP2.50
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine

1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine (PubChem CID 991659) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine
PubChem CID991659
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O2S/c1-14-5-6-15(13-16(14)17)18-9-11-20(12-10-18)23(21,22)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKeyCEIXBKJZNWNJLH-UHFFFAOYSA-N
XLogP2.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
CID 701237
1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
1-(2-Chlorobenzyl)-4-phenylpiperazine
CID 765042
1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
CID 900483
1-(3-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 4992580
4-(3-chloro-4-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 700113
1-(2-Chlorobenzyl)-4-(4-chlorophenyl)piperazine
CID 764693
1-(2,6-Dichlorobenzyl)-4-phenylpiperazine
CID 783129
1-(5-Chloro-2-methylphenyl)-4-(1-piperidinylsulfonyl)piperazine
CID 991660
1-(3-Chlorophenyl)-4-(2-methyl-3-phenyl-2-propen-1-yl)piperazine
CID 2056919
1-(3-Chlorophenyl)-4-[(2-phenylvinyl)sulfonyl]piperazine
CID 2138975

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine (CID 991659) is 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine is Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
The InChIKey is CEIXBKJZNWNJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S/c1-14-5-6-15(13-16(14)17)18-9-11-20(12-10-18)23(21,22)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine has a molecular weight of 357.91 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 991659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).