3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

C14H18F3N3O — CID 134790437

IUPAC3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCOc1cccc(N2CC3CCC(C2)N3CC(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O/c1-21-13-4-2-3-12(18-13)19-7-10-5-6-11(8-19)20(10)9-14(15,16)17/h2-4,10-11H,5-9H2,1H3
InChIKeyUFEPCWVORTXAPE-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.31
Rot. Bonds3

About 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134790437) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID134790437
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCOc1cccc(N2CC3CCC(C2)N3CC(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O/c1-21-13-4-2-3-12(18-13)19-7-10-5-6-11(8-19)20(10)9-14(15,16)17/h2-4,10-11H,5-9H2,1H3
InChIKeyUFEPCWVORTXAPE-UHFFFAOYSA-N
XLogP2.31
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane with MolForge

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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
1-[3-(4-Fluorophenoxy)propyl]-4-(6-methoxy-2-pyridinyl)piperazine
CID 44209475
1-(6-Butoxypyridin-2-Yl)Piperazine
CID 28054514
1-Methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine
CID 13795748
2-(2-Methylpropoxy)-6-piperidin-1-ylpyridine
CID 13795749
3-(6-Methoxy-3-nitro-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134789778
4-(6-Methoxypyridin-2-yl)morpholine
CID 53471471
6-methoxy-N,N-dimethylpyridin-2-amine
CID 16214967
1-(6-Methoxypyridin-2-yl)-4-methylpiperazine
CID 57873485
1-(6-ethoxy-2-pyridinyl)-4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]piperazine
CID 97608696

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (CID 134790437) is 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is COc1cccc(N2CC3CCC(C2)N3CC(F)(F)F)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is UFEPCWVORTXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-21-13-4-2-3-12(18-13)19-7-10-5-6-11(8-19)20(10)9-14(15,16)17/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 301.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).