4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

C19H22F3N5O — CID 122282517

IUPAC4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1cccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-2-1-3-16(12-15)25-4-6-26(7-5-25)17-13-18(24-14-23-17)27-8-10-28-11-9-27/h1-3,12-14H,4-11H2
InChIKeyYNSRPJLAQYTKHL-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.66
Rot. Bonds3

About 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 122282517) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID122282517
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1cccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-2-1-3-16(12-15)25-4-6-26(7-5-25)17-13-18(24-14-23-17)27-8-10-28-11-9-27/h1-3,12-14H,4-11H2
InChIKeyYNSRPJLAQYTKHL-UHFFFAOYSA-N
XLogP2.66
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
CID 118904692
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345910
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 122282517) is 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is FC(F)(F)c1cccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1.
What is the InChIKey of 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is YNSRPJLAQYTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)15-2-1-3-16(12-15)25-4-6-26(7-5-25)17-13-18(24-14-23-17)27-8-10-28-11-9-27/h1-3,12-14H,4-11H2.
What are the key properties of 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 393.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 122282517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).