4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine

C13H16F3NS — CID 20613879

IUPAC4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine
SMILESFC(F)(F)c1ccc(CSC2CCNCC2)cc1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)11-3-1-10(2-4-11)9-18-12-5-7-17-8-6-12/h1-4,12,17H,5-9H2
InChIKeyAHRFGRWDENTQBZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.69
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine

4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine (PubChem CID 20613879) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine
PubChem CID20613879
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine
SMILESFC(F)(F)c1ccc(CSC2CCNCC2)cc1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)11-3-1-10(2-4-11)9-18-12-5-7-17-8-6-12/h1-4,12,17H,5-9H2
InChIKeyAHRFGRWDENTQBZ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]azepane
CID 115070257
4-(piperidin-4-ylsulfanylmethyl)phenol
CID 115070212
4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]azepane
CID 115070242
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112563753
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
1,4-bis(cyclohexylsulfanylmethyl)benzene
CID 90723558
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568363
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine (CID 20613879) is 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine is FC(F)(F)c1ccc(CSC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine?
The InChIKey is AHRFGRWDENTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)11-3-1-10(2-4-11)9-18-12-5-7-17-8-6-12/h1-4,12,17H,5-9H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine?
4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine has a molecular weight of 275.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine is sourced from PubChem (CID 20613879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).