1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine

C17H27N3O2S — CID 701237

IUPAC1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C17H27N3O2S/c1-15-6-7-17(16(2)14-15)18-10-12-20(13-11-18)23(21,22)19-8-4-3-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyWPBRWZIGDANJAJ-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.16
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine

1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine (PubChem CID 701237) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
PubChem CID701237
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C17H27N3O2S/c1-15-6-7-17(16(2)14-15)18-10-12-20(13-11-18)23(21,22)19-8-4-3-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyWPBRWZIGDANJAJ-UHFFFAOYSA-N
XLogP2.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Bis(2,6-dimethylphenyl)piperazine
CID 1247098
1-(2,4-dimethylphenyl)-4-{[(1S,2S)-2-phenylcyclopropyl]methyl}piperazine
CID 9797161
1-(2,4-dimethylphenyl)-4-(((1R,2S)-2-phenylcyclopropyl)methyl)piperazine
CID 9901646
3-butyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazine 2,2-dioxide
CID 10160920
1-(2,4-Dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613655
1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide
CID 49860016
1-(2,4-dimethylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide
CID 52946554
US11091488, Example 74
CID 129187384
Piperidine, 1-(4-piperidinophenethyl)-
CID 217336
1-(2,4-Xylyl)piperazine
CID 70544
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CID 782039

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine (CID 701237) is 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine is Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
The InChIKey is WPBRWZIGDANJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-15-6-7-17(16(2)14-15)18-10-12-20(13-11-18)23(21,22)19-8-4-3-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine?
1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine has a molecular weight of 337.49 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 701237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).