1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol

C22H36N2O3S — CID 178004695

IUPAC1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol
SMILESCCS(=O)(=O)c1cccc(N2CCC(O)(CN3CCC(C(C)C)CC3)CC2)c1
InChIInChI=1S/C22H36N2O3S/c1-4-28(26,27)21-7-5-6-20(16-21)24-14-10-22(25,11-15-24)17-23-12-8-19(9-13-23)18(2)3/h5-7,16,18-19,25H,4,8-15,17H2,1-3H3
InChIKeyLJBHBWOOKJPUAC-UHFFFAOYSA-N
MW408.61 g/mol
LogP3.18
Rot. Bonds6

About 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol

1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol (PubChem CID 178004695) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol
PubChem CID178004695
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC Name1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol
SMILESCCS(=O)(=O)c1cccc(N2CCC(O)(CN3CCC(C(C)C)CC3)CC2)c1
InChIInChI=1S/C22H36N2O3S/c1-4-28(26,27)21-7-5-6-20(16-21)24-14-10-22(25,11-15-24)17-23-12-8-19(9-13-23)18(2)3/h5-7,16,18-19,25H,4,8-15,17H2,1-3H3
InChIKeyLJBHBWOOKJPUAC-UHFFFAOYSA-N
XLogP3.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol 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-[3-(1-iodoethylsulfonyl)phenyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol
CID 178004367
1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol
CID 3817664
N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide
CID 164556889
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
CID 62221487
1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
CID 168514777
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 156516046
3-propan-2-yl-8-[[1-(3-propan-2-ylsulfonylphenyl)piperidin-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 178004352
1-[6-(hydroxymethyl)-4-[[4-hydroxy-1-(3-methylphenyl)piperidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 132765532
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
ethane;1-[[1-(3-propan-2-ylsulfonylphenyl)piperidin-4-yl]methyl]piperazine
CID 170639106
ethane;methane;3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfinate
CID 178004799

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol (CID 178004695) is 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol is CCS(=O)(=O)c1cccc(N2CCC(O)(CN3CCC(C(C)C)CC3)CC2)c1.
What is the InChIKey of 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol?
The InChIKey is LJBHBWOOKJPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c1-4-28(26,27)21-7-5-6-20(16-21)24-14-10-22(25,11-15-24)17-23-12-8-19(9-13-23)18(2)3/h5-7,16,18-19,25H,4,8-15,17H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol?
1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol has a molecular weight of 408.61 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 178004695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).