4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine

C10H18F3NS — CID 116627033

IUPAC4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine
SMILESCCC1CCNC(CCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-2-8-3-5-14-9(7-8)4-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyHAEQTKWZIXBSNZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds4

About 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine

4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine (PubChem CID 116627033) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine
PubChem CID116627033
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine
SMILESCCC1CCNC(CCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-2-8-3-5-14-9(7-8)4-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyHAEQTKWZIXBSNZ-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(3-methoxy-3-methylbutyl)piperidine
CID 103037375
N-[(4-ethylpiperidin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114431236
1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 114431092
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002
N-[(4-ethylpiperidin-2-yl)methyl]cyclopropanamine
CID 114430809
2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
CID 114426186
N-[(4-ethylpiperidin-2-yl)methyl]-N,2,2-trimethylpropan-1-amine
CID 114430998
(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
CID 102419936
1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490142
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
4-ethyl-2-[2-(3-methylthiophen-2-yl)ethyl]piperidine
CID 114426164
N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627222

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine?
The IUPAC name of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine (CID 116627033) is 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine?
The canonical SMILES for 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine is CCC1CCNC(CCSC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine?
The InChIKey is HAEQTKWZIXBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-8-3-5-14-9(7-8)4-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine?
4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 116627033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).