2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine

C14H18F3NO — CID 43329124

IUPAC2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
SMILESFC(F)(F)Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)19-13-8-5-11(6-9-13)4-7-12-3-1-2-10-18-12/h5-6,8-9,12,18H,1-4,7,10H2
InChIKeyIVCAYTRNLQBQIX-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.66
Rot. Bonds4

About 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine (PubChem CID 43329124) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
PubChem CID43329124
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
SMILESFC(F)(F)Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)19-13-8-5-11(6-9-13)4-7-12-3-1-2-10-18-12/h5-6,8-9,12,18H,1-4,7,10H2
InChIKeyIVCAYTRNLQBQIX-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
CID 23339104
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-(2-pyridin-4-ylethyl)azepane
CID 104703875

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
The IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine (CID 43329124) is 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine.
What is the SMILES notation for 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
The canonical SMILES for 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine is FC(F)(F)Oc1ccc(CCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
The InChIKey is IVCAYTRNLQBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)19-13-8-5-11(6-9-13)4-7-12-3-1-2-10-18-12/h5-6,8-9,12,18H,1-4,7,10H2.
What are the key properties of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine?
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine is sourced from PubChem (CID 43329124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).