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

Analyze 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).