4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine

C14H19F3N4O — CID 56832338

IUPAC4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cc(N2CCNCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-9-12(20-3-1-18-2-4-20)19-13(10-11)21-5-7-22-8-6-21/h9-10,18H,1-8H2
InChIKeyDBYINKNPOXKNLD-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.35
Rot. Bonds2

About 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine

4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 56832338) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID56832338
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cc(N2CCNCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-9-12(20-3-1-18-2-4-20)19-13(10-11)21-5-7-22-8-6-21/h9-10,18H,1-8H2
InChIKeyDBYINKNPOXKNLD-UHFFFAOYSA-N
XLogP1.35
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine (CID 56832338) is 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine is FC(F)(F)c1cc(N2CCNCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is DBYINKNPOXKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)11-9-12(20-3-1-18-2-4-20)19-13(10-11)21-5-7-22-8-6-21/h9-10,18H,1-8H2.
What are the key properties of 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine?
4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 316.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 56832338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).