[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol

C17H25NO4S — CID 110294898

IUPAC[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCCC(CO)C1
InChIInChI=1S/C17H25NO4S/c19-13-14-4-3-11-18(12-14)23(20,21)17-9-7-16(8-10-17)22-15-5-1-2-6-15/h7-10,14-15,19H,1-6,11-13H2
InChIKeyYZQNPABFTXJPBY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.40
Rot. Bonds5

About [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol

[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 110294898) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID110294898
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCCC(CO)C1
InChIInChI=1S/C17H25NO4S/c19-13-14-4-3-11-18(12-14)23(20,21)17-9-7-16(8-10-17)22-15-5-1-2-6-15/h7-10,14-15,19H,1-6,11-13H2
InChIKeyYZQNPABFTXJPBY-UHFFFAOYSA-N
XLogP2.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110311400

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol (CID 110294898) is [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol is O=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCCC(CO)C1.
What is the InChIKey of [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is YZQNPABFTXJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c19-13-14-4-3-11-18(12-14)23(20,21)17-9-7-16(8-10-17)22-15-5-1-2-6-15/h7-10,14-15,19H,1-6,11-13H2.
What are the key properties of [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 339.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 110294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).