1-[4-(trifluoromethoxy)phenoxy]piperidine

C12H14F3NO2 — CID 56985535

IUPAC1-[4-(trifluoromethoxy)phenoxy]piperidine
SMILESFC(F)(F)Oc1ccc(ON2CCCCC2)cc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)17-10-4-6-11(7-5-10)18-16-8-2-1-3-9-16/h4-7H,1-3,8-9H2
InChIKeyNGTMIHZQINWTHS-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.36
Rot. Bonds3

About 1-[4-(trifluoromethoxy)phenoxy]piperidine

1-[4-(trifluoromethoxy)phenoxy]piperidine (PubChem CID 56985535) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenoxy]piperidine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenoxy]piperidine
PubChem CID56985535
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name1-[4-(trifluoromethoxy)phenoxy]piperidine
SMILESFC(F)(F)Oc1ccc(ON2CCCCC2)cc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)17-10-4-6-11(7-5-10)18-16-8-2-1-3-9-16/h4-7H,1-3,8-9H2
InChIKeyNGTMIHZQINWTHS-UHFFFAOYSA-N
XLogP3.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-[4-[(E)-3-(4-pyrrolidin-1-yloxyphenyl)but-2-en-2-yl]phenoxy]pyrrolidine;dihydrochloride
CID 21151429
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
[4-[4-(trifluoromethoxy)phenyl]phenyl] pyrrolidine-1-carboxylate
CID 141055177
[2-(azepan-1-yl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 134016562
1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenoxy]piperidine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenoxy]piperidine (CID 56985535) is 1-[4-(trifluoromethoxy)phenoxy]piperidine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenoxy]piperidine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenoxy]piperidine is FC(F)(F)Oc1ccc(ON2CCCCC2)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenoxy]piperidine?
The InChIKey is NGTMIHZQINWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)17-10-4-6-11(7-5-10)18-16-8-2-1-3-9-16/h4-7H,1-3,8-9H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenoxy]piperidine?
1-[4-(trifluoromethoxy)phenoxy]piperidine has a molecular weight of 261.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenoxy]piperidine is sourced from PubChem (CID 56985535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).