1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine

C17H27N3O2S — CID 113079021

IUPAC1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
SMILESCCS(=O)(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-2-23(21,22)20-14-12-19(13-15-20)17-8-6-16(7-9-17)18-10-4-3-5-11-18/h6-9H,2-5,10-15H2,1H3
InChIKeyLNBXKTKQISBMSP-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.15
Rot. Bonds4

About 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine

1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine (PubChem CID 113079021) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
PubChem CID113079021
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
SMILESCCS(=O)(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-2-23(21,22)20-14-12-19(13-15-20)17-8-6-16(7-9-17)18-10-4-3-5-11-18/h6-9H,2-5,10-15H2,1H3
InChIKeyLNBXKTKQISBMSP-UHFFFAOYSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)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-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
CID 168512260
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735990
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 110642497
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110302048
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
2-cyclopentyl-N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]propanamide
CID 110353277
4-(4-butylsulfonylpiperazin-1-yl)benzonitrile
CID 113081083

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine (CID 113079021) is 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine is CCS(=O)(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine?
The InChIKey is LNBXKTKQISBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-2-23(21,22)20-14-12-19(13-15-20)17-8-6-16(7-9-17)18-10-4-3-5-11-18/h6-9H,2-5,10-15H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine?
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine has a molecular weight of 337.49 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine is sourced from PubChem (CID 113079021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).