3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine

C14H18F3N — CID 130392683

IUPAC3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
SMILESCCC1CCCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3N/c1-2-11-5-4-8-18(10-11)13-7-3-6-12(9-13)14(15,16)17/h3,6-7,9,11H,2,4-5,8,10H2,1H3
InChIKeyKYYYSVCSGQZBNF-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.33
Rot. Bonds2

About 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine

3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 130392683) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID130392683
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
SMILESCCC1CCCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3N/c1-2-11-5-4-8-18(10-11)13-7-3-6-12(9-13)14(15,16)17/h3,6-7,9,11H,2,4-5,8,10H2,1H3
InChIKeyKYYYSVCSGQZBNF-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 63514146
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine (CID 130392683) is 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine is CCC1CCCN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is KYYYSVCSGQZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-11-5-4-8-18(10-11)13-7-3-6-12(9-13)14(15,16)17/h3,6-7,9,11H,2,4-5,8,10H2,1H3.
What are the key properties of 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine?
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 257.30 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 130392683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).