(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone

C14H18FNOS — CID 114236873

IUPAC(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H18FNOS/c1-10-9-11(3-4-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyPFDYAHSZJFZVDG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.10
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone

(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone (PubChem CID 114236873) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
PubChem CID114236873
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H18FNOS/c1-10-9-11(3-4-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyPFDYAHSZJFZVDG-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3-bromopyrrolidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80677888
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-fluoro-3-methylphenyl)methanone
CID 99596896
[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 82701395
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
[4-(4-fluoro-3-methylphenyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 70288816
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone (CID 114236873) is (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone is CSC1CCN(C(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The InChIKey is PFDYAHSZJFZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-10-9-11(3-4-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone has a molecular weight of 267.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone is sourced from PubChem (CID 114236873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).