1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

C26H35NO4S — CID 90018618

IUPAC1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(CC4(O)CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H35NO4S/c1-32(29,30)25-11-7-23(8-12-25)22-5-9-24(10-6-22)31-19-21-13-17-27(18-14-21)20-26(28)15-3-2-4-16-26/h5-12,21,28H,2-4,13-20H2,1H3
InChIKeyXRMVQSPLXPVTJJ-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.54
Rot. Bonds7

About 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 90018618) has the molecular formula C26H35NO4S and a molecular weight of 457.64 g/mol. Its IUPAC name is 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID90018618
Molecular FormulaC26H35NO4S
Molecular Weight457.64 g/mol
Exact Mass457.23
IUPAC Name1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(CC4(O)CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H35NO4S/c1-32(29,30)25-11-7-23(8-12-25)22-5-9-24(10-6-22)31-19-21-13-17-27(18-14-21)20-26(28)15-3-2-4-16-26/h5-12,21,28H,2-4,13-20H2,1H3
InChIKeyXRMVQSPLXPVTJJ-UHFFFAOYSA-N
XLogP4.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carbonitrile
CID 86638736
[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 90017093
N'-hydroxy-4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboximidamide
CID 86663677
[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 134420631
1-[(2-chlorophenyl)methyl]-4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine;2,2,2-trifluoroacetic acid
CID 66673492
N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
CID 118147802
2-[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 59177746
2-[(2R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]sulfonylpyrrolidin-2-yl]ethanol
CID 146228930
N'-hydroxy-4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboximidamide
CID 87100228
3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine
CID 172795173
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
CID 72699940

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 90018618) is 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(CC4(O)CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XRMVQSPLXPVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4S/c1-32(29,30)25-11-7-23(8-12-25)22-5-9-24(10-6-22)31-19-21-13-17-27(18-14-21)20-26(28)15-3-2-4-16-26/h5-12,21,28H,2-4,13-20H2,1H3.
What are the key properties of 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 457.64 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 90018618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).