[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol

C14H21NO3S — CID 61147641

IUPAC[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
SMILESCCS(=O)(=O)c1ccc(N2CCCC(CO)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-2-19(17,18)14-7-5-13(6-8-14)15-9-3-4-12(10-15)11-16/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyOQBWJDNMJODHFQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.69
Rot. Bonds4

About [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol

[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol (PubChem CID 61147641) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
PubChem CID61147641
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
SMILESCCS(=O)(=O)c1ccc(N2CCCC(CO)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-2-19(17,18)14-7-5-13(6-8-14)15-9-3-4-12(10-15)11-16/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyOQBWJDNMJODHFQ-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
4-[3-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80672154
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
(4aR,8aS)-6-(4-ethylsulfonylphenyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 99858151

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol (CID 61147641) is [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol is CCS(=O)(=O)c1ccc(N2CCCC(CO)C2)cc1.
What is the InChIKey of [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol?
The InChIKey is OQBWJDNMJODHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-19(17,18)14-7-5-13(6-8-14)15-9-3-4-12(10-15)11-16/h5-8,12,16H,2-4,9-11H2,1H3.
What are the key properties of [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol?
[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol has a molecular weight of 283.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 61147641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).