2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C19H22FNO2S — CID 110311422

IUPAC2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(C(Cc1cccs1)c1ccc(F)cc1)N1CCCC(CO)C1
InChIInChI=1S/C19H22FNO2S/c20-16-7-5-15(6-8-16)18(11-17-4-2-10-24-17)19(23)21-9-1-3-14(12-21)13-22/h2,4-8,10,14,18,22H,1,3,9,11-13H2
InChIKeyRNDVDDPDXOAHKI-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110311422) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110311422
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(C(Cc1cccs1)c1ccc(F)cc1)N1CCCC(CO)C1
InChIInChI=1S/C19H22FNO2S/c20-16-7-5-15(6-8-16)18(11-17-4-2-10-24-17)19(23)21-9-1-3-14(12-21)13-22/h2,4-8,10,14,18,22H,1,3,9,11-13H2
InChIKeyRNDVDDPDXOAHKI-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 110311422) is 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is O=C(C(Cc1cccs1)c1ccc(F)cc1)N1CCCC(CO)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is RNDVDDPDXOAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c20-16-7-5-15(6-8-16)18(11-17-4-2-10-24-17)19(23)21-9-1-3-14(12-21)13-22/h2,4-8,10,14,18,22H,1,3,9,11-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 347.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110311422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).