2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine

C14H18F3NO — CID 43150630

IUPAC2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1ccc(OCCC2CCCCN2)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-4-6-13(7-5-11)19-10-8-12-3-1-2-9-18-12/h4-7,12,18H,1-3,8-10H2
InChIKeyFKBXQPBMPRUANF-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.62
Rot. Bonds4

About 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine

2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 43150630) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID43150630
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1ccc(OCCC2CCCCN2)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-4-6-13(7-5-11)19-10-8-12-3-1-2-9-18-12/h4-7,12,18H,1-3,8-10H2
InChIKeyFKBXQPBMPRUANF-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
CID 70109158
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 43150630) is 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine is FC(F)(F)c1ccc(OCCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is FKBXQPBMPRUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)11-4-6-13(7-5-11)19-10-8-12-3-1-2-9-18-12/h4-7,12,18H,1-3,8-10H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 43150630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).