1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone

C17H18FNO2S — CID 1446504

IUPAC1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C17H18FNO2S/c18-15-6-2-1-5-14(15)17(21)7-9-19(10-8-17)16(20)12-13-4-3-11-22-13/h1-6,11,21H,7-10,12H2
InChIKeyDKACRSXJYGKVGW-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 1446504) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID1446504
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C17H18FNO2S/c18-15-6-2-1-5-14(15)17(21)7-9-19(10-8-17)16(20)12-13-4-3-11-22-13/h1-6,11,21H,7-10,12H2
InChIKeyDKACRSXJYGKVGW-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dotefonium Bromide
CID 71913
1-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 4785791
Ammonium, dimethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)phenethyl-, bromide
CID 33278
Ammonium, (2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)trimethyl-, bromide
CID 33280
Ammonium, diethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33282
1-Piperidinepropanol, alpha-phenyl-alpha-(2-thienyl)-
CID 121415
2-Thiopheneacetamide, alpha-hydroxy-N-methyl-alpha-phenyl-N-(2-pyrrolidinoethyl)-, hydrochloride
CID 212756
2-Thiopheneacetamide, alpha-hydroxy-N-methyl-N-(2-methylphenethylaminoethyl)-alpha-phenyl-, hydrochloride
CID 212758
Piperidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)-1-methyl-, bromide
CID 213295
FC 211
CID 214278
2-Thiopheneacetamide, N-(2-dimethylaminoethyl)-alpha-hydroxy-N-methyl-alpha-phenyl-, hydrochloride
CID 216099
2-Thiopheneacetamide, alpha-hydroxy-N-methyl-N-(2-morpholinoethyl)-alpha-phenyl-, hydrochloride
CID 216101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone (CID 1446504) is 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is DKACRSXJYGKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-15-6-2-1-5-14(15)17(21)7-9-19(10-8-17)16(20)12-13-4-3-11-22-13/h1-6,11,21H,7-10,12H2.
What are the key properties of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 319.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 1446504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).