2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine

C18H27F3N4O — CID 133338625

IUPAC2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC1CN(CCC2CCN(c3nccc(C(F)(F)F)n3)CC2)CC(C)O1
InChIInChI=1S/C18H27F3N4O/c1-13-11-24(12-14(2)26-13)8-4-15-5-9-25(10-6-15)17-22-7-3-16(23-17)18(19,20)21/h3,7,13-15H,4-6,8-12H2,1-2H3
InChIKeyNXHHQAWDMJFLKK-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.21
Rot. Bonds4

About 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine

2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine (PubChem CID 133338625) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
PubChem CID133338625
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC1CN(CCC2CCN(c3nccc(C(F)(F)F)n3)CC2)CC(C)O1
InChIInChI=1S/C18H27F3N4O/c1-13-11-24(12-14(2)26-13)8-4-15-5-9-25(10-6-15)17-22-7-3-16(23-17)18(19,20)21/h3,7,13-15H,4-6,8-12H2,1-2H3
InChIKeyNXHHQAWDMJFLKK-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine (CID 133338625) is 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine is CC1CN(CCC2CCN(c3nccc(C(F)(F)F)n3)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is NXHHQAWDMJFLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-13-11-24(12-14(2)26-13)8-4-15-5-9-25(10-6-15)17-22-7-3-16(23-17)18(19,20)21/h3,7,13-15H,4-6,8-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 372.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 133338625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).