2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile

C14H15F3N2S — CID 43802881

IUPAC2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
SMILESN#CC(c1ccc(SC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)20-12-6-4-11(5-7-12)13(10-18)19-8-2-1-3-9-19/h4-7,13H,1-3,8-9H2
InChIKeyHORAWWGARFMSLJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.35
Rot. Bonds3

About 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile

2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile (PubChem CID 43802881) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
PubChem CID43802881
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
SMILESN#CC(c1ccc(SC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)20-12-6-4-11(5-7-12)13(10-18)19-8-2-1-3-9-19/h4-7,13H,1-3,8-9H2
InChIKeyHORAWWGARFMSLJ-UHFFFAOYSA-N
XLogP4.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile;hydrochloride
CID 91664109
2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile
CID 43802813
2-(azepan-1-yl)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648803
methyl 4-[cyano(piperidin-1-yl)methyl]benzoate
CID 43802919
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105
2-piperidin-1-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
CID 71295945
2-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107105039
2-chloro-1-pyrrolidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 62224994
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
2-(3-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84756828
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile?
The IUPAC name of 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile (CID 43802881) is 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile.
What is the SMILES notation for 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile?
The canonical SMILES for 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile is N#CC(c1ccc(SC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile?
The InChIKey is HORAWWGARFMSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c15-14(16,17)20-12-6-4-11(5-7-12)13(10-18)19-8-2-1-3-9-19/h4-7,13H,1-3,8-9H2.
What are the key properties of 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile?
2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile has a molecular weight of 300.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile is sourced from PubChem (CID 43802881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).