1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine

C13H18F3N3O — CID 10089156

IUPAC1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCCCOc1nc(N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-2-9-20-12-10(13(14,15)16)3-4-11(18-12)19-7-5-17-6-8-19/h3-4,17H,2,5-9H2,1H3
InChIKeyVRGJESCGGWQCRP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.30
Rot. Bonds4

About 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10089156) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10089156
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCCCOc1nc(N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-2-9-20-12-10(13(14,15)16)3-4-11(18-12)19-7-5-17-6-8-19/h3-4,17H,2,5-9H2,1H3
InChIKeyVRGJESCGGWQCRP-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9R,13R)-4-methoxy-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409095
1-(6-Methoxypyridin-2-yl)piperazine
CID 12200470
1-(6-Ethoxypyridin-2-yl)piperazine
CID 13795742
(2R)-2-[[6-(2,2,2-trifluoroethylamino)pyridin-2-yl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155256025
1-[6-[[2-(Phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10006279
(3R)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10093032
1-[6-[2-(2,6-Difluorophenoxy)ethoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 11754128
1-[6-(Propan-2-yloxy)pyridin-2-yl]piperazine
CID 13795743
1-(6-Isobutoxy-2-pyridyl)piperazine
CID 13795744
1-[6-(Cyclopropylmethoxy)pyridin-2-yl]piperazine
CID 13795745
1-[6-(Cyclohexylmethoxy)-2-pyridinyl]piperazine
CID 13795746
1-(6-Cyclohexyloxy-2-pyridinyl)piperazine
CID 13795753

Frequently Asked Questions

What is the IUPAC name of 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10089156) is 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is CCCOc1nc(N2CCNCC2)ccc1C(F)(F)F.
What is the InChIKey of 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is VRGJESCGGWQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-9-20-12-10(13(14,15)16)3-4-11(18-12)19-7-5-17-6-8-19/h3-4,17H,2,5-9H2,1H3.
What are the key properties of 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 289.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).