3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

C14H18F3N3O — CID 134791445

IUPAC3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCOc1cncc(N2CC3CCC(C2)N3CC(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O/c1-21-13-4-12(5-18-6-13)19-7-10-2-3-11(8-19)20(10)9-14(15,16)17/h4-6,10-11H,2-3,7-9H2,1H3
InChIKeyASLLBWGWYKPTFE-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.31
Rot. Bonds3

About 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134791445) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID134791445
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCOc1cncc(N2CC3CCC(C2)N3CC(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O/c1-21-13-4-12(5-18-6-13)19-7-10-2-3-11(8-19)20(10)9-14(15,16)17/h4-6,10-11H,2-3,7-9H2,1H3
InChIKeyASLLBWGWYKPTFE-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-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane
CID 22045861
3-(azetidin-1-yl)-5-(2,2,2-trifluoroethoxy)pyridine
CID 171552910
tert-butyl N-[5-chloro-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-pyridinyl]carbamate
CID 139405197
3-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134787563
7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
CID 11601092
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 91456410
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 90729487

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (CID 134791445) is 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is COc1cncc(N2CC3CCC(C2)N3CC(F)(F)F)c1.
What is the InChIKey of 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ASLLBWGWYKPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-21-13-4-12(5-18-6-13)19-7-10-2-3-11(8-19)20(10)9-14(15,16)17/h4-6,10-11H,2-3,7-9H2,1H3.
What are the key properties of 3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
3-(5-methoxy-3-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-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134791445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).