4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine

C13H19F3N4O — CID 79072295

IUPAC4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine
SMILESCN1CCOC(Cn2c(C(F)(F)F)nc3c2CCNC3)C1
InChIInChI=1S/C13H19F3N4O/c1-19-4-5-21-9(7-19)8-20-11-2-3-17-6-10(11)18-12(20)13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyHFCCSYUODDEILP-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.88
Rot. Bonds2

About 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine

4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine (PubChem CID 79072295) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine
PubChem CID79072295
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine
SMILESCN1CCOC(Cn2c(C(F)(F)F)nc3c2CCNC3)C1
InChIInChI=1S/C13H19F3N4O/c1-19-4-5-21-9(7-19)8-20-11-2-3-17-6-10(11)18-12(20)13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyHFCCSYUODDEILP-UHFFFAOYSA-N
XLogP0.88
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine?
The IUPAC name of 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine (CID 79072295) is 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine.
What is the SMILES notation for 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine?
The canonical SMILES for 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine is CN1CCOC(Cn2c(C(F)(F)F)nc3c2CCNC3)C1.
What is the InChIKey of 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine?
The InChIKey is HFCCSYUODDEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-19-4-5-21-9(7-19)8-20-11-2-3-17-6-10(11)18-12(20)13(14,15)16/h9,17H,2-8H2,1H3.
What are the key properties of 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine?
4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine has a molecular weight of 304.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine is sourced from PubChem (CID 79072295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).