4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

C23H33F3N6O2 — CID 3637935

IUPAC4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1
InChIInChI=1S/C23H33F3N6O2/c24-23(25,26)15-34-21-28-19(27-20(29-21)31-5-7-33-8-6-31)30-1-3-32(4-2-30)22-12-16-9-17(13-22)11-18(10-16)14-22/h16-18H,1-15H2
InChIKeyOAEBQUSKVGSTKE-UHFFFAOYSA-N
MW482.55 g/mol
LogP2.74
Rot. Bonds5

About 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 3637935) has the molecular formula C23H33F3N6O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID3637935
Molecular FormulaC23H33F3N6O2
Molecular Weight482.55 g/mol
Exact Mass482.26
IUPAC Name4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1
InChIInChI=1S/C23H33F3N6O2/c24-23(25,26)15-34-21-28-19(27-20(29-21)31-5-7-33-8-6-31)30-1-3-32(4-2-30)22-12-16-9-17(13-22)11-18(10-16)14-22/h16-18H,1-15H2
InChIKeyOAEBQUSKVGSTKE-UHFFFAOYSA-N
XLogP2.74
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,2-difluoroethoxy)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82009481
4-(2,2-difluoroethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82008989
1-[[4-[[(5-ethylthiophen-2-yl)diazenyl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpropan-2-ol
CID 91535323
4-[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 167923037
4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
CID 115942025
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
CID 27101337
4-(4-ethylsulfonylpiperazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58040422
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 91641613
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
CID 58507712
[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-yl]methyldiazene
CID 91307126

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (CID 3637935) is 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is FC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1.
What is the InChIKey of 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is OAEBQUSKVGSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N6O2/c24-23(25,26)15-34-21-28-19(27-20(29-21)31-5-7-33-8-6-31)30-1-3-32(4-2-30)22-12-16-9-17(13-22)11-18(10-16)14-22/h16-18H,1-15H2.
What are the key properties of 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 482.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-adamantyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 3637935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).