1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine

C13H27N3O2S — CID 60891523

IUPAC1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-15-8-10-16(11-9-15)19(17,18)12-5-13-3-6-14-7-4-13/h13-14H,2-12H2,1H3
InChIKeyPPMCULHRWZUSLD-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.34
Rot. Bonds5

About 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine

1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine (PubChem CID 60891523) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
PubChem CID60891523
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-15-8-10-16(11-9-15)19(17,18)12-5-13-3-6-14-7-4-13/h13-14H,2-12H2,1H3
InChIKeyPPMCULHRWZUSLD-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
CID 54973856
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70094794
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
CID 54885840
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
CID 126694239
3-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine-2,6-dione
CID 66067816
2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine
CID 114593427
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837
8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane
CID 173163203

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine?
The IUPAC name of 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine (CID 60891523) is 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine?
The canonical SMILES for 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine is CCN1CCN(S(=O)(=O)CCC2CCNCC2)CC1.
What is the InChIKey of 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine?
The InChIKey is PPMCULHRWZUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-2-15-8-10-16(11-9-15)19(17,18)12-5-13-3-6-14-7-4-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine?
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine has a molecular weight of 289.44 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine is sourced from PubChem (CID 60891523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).