1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile

C14H15FN2O2S — CID 107675917

IUPAC1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C14H15FN2O2S/c1-20-14(9-16)4-6-17(7-5-14)13(19)11-3-2-10(18)8-12(11)15/h2-3,8,18H,4-7H2,1H3
InChIKeyBJVDYNZTIQHYDT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile

1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile (PubChem CID 107675917) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
PubChem CID107675917
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C14H15FN2O2S/c1-20-14(9-16)4-6-17(7-5-14)13(19)11-3-2-10(18)8-12(11)15/h2-3,8,18H,4-7H2,1H3
InChIKeyBJVDYNZTIQHYDT-UHFFFAOYSA-N
XLogP2.39
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2-methylbenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 107671436
1-(2-bromo-5-methylbenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 81110700
1-(5-bromothiophene-3-carbonyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 114021231
1-(5-chlorofuran-2-carbonyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 106684845
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
CID 107160760
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
5-[4-(2-fluoro-4-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
CID 136543890
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674394
acetic acid;8-(2-fluoro-4-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166600307

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile (CID 107675917) is 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile is CSC1(C#N)CCN(C(=O)c2ccc(O)cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The InChIKey is BJVDYNZTIQHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-20-14(9-16)4-6-17(7-5-14)13(19)11-3-2-10(18)8-12(11)15/h2-3,8,18H,4-7H2,1H3.
What are the key properties of 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile?
1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile has a molecular weight of 294.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile is sourced from PubChem (CID 107675917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).