4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C20H24F3N5O — CID 154575832

IUPAC4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)17-3-1-16(2-4-17)15-26-7-9-27(10-8-26)18-5-6-24-19(25-18)28-11-13-29-14-12-28/h1-6H,7-15H2
InChIKeyPCPFJQNGJUPECV-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.65
Rot. Bonds4

About 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 154575832) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID154575832
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)17-3-1-16(2-4-17)15-26-7-9-27(10-8-26)18-5-6-24-19(25-18)28-11-13-29-14-12-28/h1-6H,7-15H2
InChIKeyPCPFJQNGJUPECV-UHFFFAOYSA-N
XLogP2.65
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154575792
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
2-(4-methylpiperazin-1-yl)-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 166605484
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 163349088
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 154575832) is 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is FC(F)(F)c1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is PCPFJQNGJUPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c21-20(22,23)17-3-1-16(2-4-17)15-26-7-9-27(10-8-26)18-5-6-24-19(25-18)28-11-13-29-14-12-28/h1-6H,7-15H2.
What are the key properties of 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 407.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 154575832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).