4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine

C21H25F3N4O — CID 133449865

IUPAC4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1CCCN(c2cc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)ncn2)C1
InChIInChI=1S/C21H25F3N4O/c1-15-3-2-8-27(12-15)19-11-20(26-14-25-19)28-9-10-29-18(13-28)16-4-6-17(7-5-16)21(22,23)24/h4-7,11,14-15,18H,2-3,8-10,12-13H2,1H3
InChIKeyZXQPODIZCOQXQO-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.31
Rot. Bonds3

About 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine

4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449865) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449865
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1CCCN(c2cc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)ncn2)C1
InChIInChI=1S/C21H25F3N4O/c1-15-3-2-8-27(12-15)19-11-20(26-14-25-19)28-9-10-29-18(13-28)16-4-6-17(7-5-16)21(22,23)24/h4-7,11,14-15,18H,2-3,8-10,12-13H2,1H3
InChIKeyZXQPODIZCOQXQO-UHFFFAOYSA-N
XLogP4.31
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431434
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449865) is 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine is CC1CCCN(c2cc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)ncn2)C1.
What is the InChIKey of 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is ZXQPODIZCOQXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c1-15-3-2-8-27(12-15)19-11-20(26-14-25-19)28-9-10-29-18(13-28)16-4-6-17(7-5-16)21(22,23)24/h4-7,11,14-15,18H,2-3,8-10,12-13H2,1H3.
What are the key properties of 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 406.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).