1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone

C18H20FNO2S — CID 95980834

IUPAC1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC([C@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FNO2S/c19-15-5-3-13(4-6-15)18(22)14-7-9-20(10-8-14)17(21)12-16-2-1-11-23-16/h1-6,11,14,18,22H,7-10,12H2/t18-/m1/s1
InChIKeyFHWVOJBPGOJUIV-GOSISDBHSA-N
MW333.43 g/mol
LogP3.40
Rot. Bonds4

About 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 95980834) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID95980834
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC([C@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FNO2S/c19-15-5-3-13(4-6-15)18(22)14-7-9-20(10-8-14)17(21)12-16-2-1-11-23-16/h1-6,11,14,18,22H,7-10,12H2/t18-/m1/s1
InChIKeyFHWVOJBPGOJUIV-GOSISDBHSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)-1-methyl-, bromide
CID 213295
FC 211
CID 214278
2-Thiopheneacetamide, alpha-hydroxy-N-methyl-N-(2-morpholinoethyl)-alpha-phenyl-, hydrochloride
CID 216101
2-(4-Fluorophenyl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 49669904
(3S*,4R*)-1-[3-(2,4-difluorophenyl)propanoyl]-4-(3-methyl-2-thienyl)piperidin-3-ol
CID 50970406
1-(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)-2-(2-thienyl)-1-ethanone
CID 53150621
(3S*,4R*)-1-[(4-hydroxyphenyl)acetyl]-4-(3-methyl-2-thienyl)piperidin-3-ol
CID 56703020
[4-[2-(3-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 56815066
[4-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56816674
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
1-(4-fluorophenyl)-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)cyclopropanecarboxamide
CID 71782447
[4-({1-[3-(3-Thienyl)propanoyl]pyrrolidin-3-yl}methyl)phenyl]methanol
CID 72912349

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 95980834) is 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC([C@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is FHWVOJBPGOJUIV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FNO2S/c19-15-5-3-13(4-6-15)18(22)14-7-9-20(10-8-14)17(21)12-16-2-1-11-23-16/h1-6,11,14,18,22H,7-10,12H2/t18-/m1/s1.
What are the key properties of 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 333.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 95980834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).