4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine

C8H14F3NS — CID 146488819

IUPAC4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCSC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-13-7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyFEMPMIGOFKUTDC-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.38
Rot. Bonds2

About 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine

4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 146488819) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID146488819
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCSC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-13-7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyFEMPMIGOFKUTDC-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103786766
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 167468065
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine (CID 146488819) is 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine is CSC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is FEMPMIGOFKUTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-13-7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 213.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 146488819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).