1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol

C14H20FNOS — CID 58988421

IUPAC1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cc(F)cc(SC)c2)CC1
InChIInChI=1S/C14H20FNOS/c1-3-16-6-4-14(17,5-7-16)11-8-12(15)10-13(9-11)18-2/h8-10,17H,3-7H2,1-2H3
InChIKeyCIWQXCUUQBPHDB-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.85
Rot. Bonds3

About 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol

1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol (PubChem CID 58988421) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol
PubChem CID58988421
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cc(F)cc(SC)c2)CC1
InChIInChI=1S/C14H20FNOS/c1-3-16-6-4-14(17,5-7-16)11-8-12(15)10-13(9-11)18-2/h8-10,17H,3-7H2,1-2H3
InChIKeyCIWQXCUUQBPHDB-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-4-phenyltetrahydro-2H-thiopyran-4-ol
CID 9549659
4-(3-Methylsulfonylphenyl)-1-propylpiperidin-4-ol
CID 57810440
2H-Thipyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-phenyl-, hydrochloride, trans-(+-)-
CID 3088839
Bis(4-fluorophenyl)-[1-(3-phenylsulfanylpropyl)piperidin-4-yl]methanol
CID 44271585
3-[(Dimethylamino)methyl]-4-phenylthian-4-ol
CID 4558249
4-(4-Fluorophenyl)-1-methylpiperidin-4-ol
CID 10584532
4-(2,3-Difluorophenyl)-1-propylpiperidin-4-ol
CID 11557911
4-(3,4-Difluorophenyl)-1-ethylpiperidin-4-ol
CID 11579609
4-(3,4-Difluorophenyl)-1-propylpiperidin-4-ol
CID 11644559
4-(2,3-Difluorophenyl)-1-ethylpiperidin-4-ol
CID 11658772
4-(2-Fluorophenyl)-1-methylpiperidin-4-OL
CID 12694023
4-(2,5-Difluorophenyl)-4-hydroxy-1-methyl-piperidine
CID 12694024

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol (CID 58988421) is 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol is CCN1CCC(O)(c2cc(F)cc(SC)c2)CC1.
What is the InChIKey of 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol?
The InChIKey is CIWQXCUUQBPHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-3-16-6-4-14(17,5-7-16)11-8-12(15)10-13(9-11)18-2/h8-10,17H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol?
1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol has a molecular weight of 269.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol is sourced from PubChem (CID 58988421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).