2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone

C19H21FN2OS — CID 71800684

IUPAC2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(CSc2ccccn2)CC1
InChIInChI=1S/C19H21FN2OS/c20-17-6-4-15(5-7-17)13-19(23)22-11-8-16(9-12-22)14-24-18-3-1-2-10-21-18/h1-7,10,16H,8-9,11-14H2
InChIKeyGRWYCKXPSLUILD-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone (PubChem CID 71800684) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
PubChem CID71800684
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(CSc2ccccn2)CC1
InChIInChI=1S/C19H21FN2OS/c20-17-6-4-15(5-7-17)13-19(23)22-11-8-16(9-12-22)14-24-18-3-1-2-10-21-18/h1-7,10,16H,8-9,11-14H2
InChIKeyGRWYCKXPSLUILD-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone (CID 71800684) is 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC(CSc2ccccn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
The InChIKey is GRWYCKXPSLUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-17-6-4-15(5-7-17)13-19(23)22-11-8-16(9-12-22)14-24-18-3-1-2-10-21-18/h1-7,10,16H,8-9,11-14H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71800684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).