2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine

C16H16F3N3O — CID 175661292

IUPAC2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESFC(F)(F)c1ccc(Oc2nccnc2C2CCCNC2)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)12-3-5-13(6-4-12)23-15-14(21-8-9-22-15)11-2-1-7-20-10-11/h3-6,8-9,11,20H,1-2,7,10H2
InChIKeyHUWFTOXBFVXDRL-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.75
Rot. Bonds3

About 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine

2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine (PubChem CID 175661292) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine
PubChem CID175661292
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESFC(F)(F)c1ccc(Oc2nccnc2C2CCCNC2)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)12-3-5-13(6-4-12)23-15-14(21-8-9-22-15)11-2-1-7-20-10-11/h3-6,8-9,11,20H,1-2,7,10H2
InChIKeyHUWFTOXBFVXDRL-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine
CID 172634906
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061
2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The IUPAC name of 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine (CID 175661292) is 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine.
What is the SMILES notation for 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The canonical SMILES for 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine is FC(F)(F)c1ccc(Oc2nccnc2C2CCCNC2)cc1.
What is the InChIKey of 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The InChIKey is HUWFTOXBFVXDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)12-3-5-13(6-4-12)23-15-14(21-8-9-22-15)11-2-1-7-20-10-11/h3-6,8-9,11,20H,1-2,7,10H2.
What are the key properties of 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine has a molecular weight of 323.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine is sourced from PubChem (CID 175661292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).