4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

C20H25F3N6O2 — CID 1114000

IUPAC4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H25F3N6O2/c21-20(22,23)15-31-19-25-17(24-18(26-19)29-10-12-30-13-11-29)28-8-6-27(7-9-28)14-16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyRSLAVQBZLCVPQE-UHFFFAOYSA-N
MW438.45 g/mol
LogP1.97
Rot. Bonds6

About 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 1114000) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID1114000
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H25F3N6O2/c21-20(22,23)15-31-19-25-17(24-18(26-19)29-10-12-30-13-11-29)28-8-6-27(7-9-28)14-16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyRSLAVQBZLCVPQE-UHFFFAOYSA-N
XLogP1.97
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (CID 1114000) is 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is FC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is RSLAVQBZLCVPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c21-20(22,23)15-31-19-25-17(24-18(26-19)29-10-12-30-13-11-29)28-8-6-27(7-9-28)14-16-4-2-1-3-5-16/h1-5H,6-15H2.
What are the key properties of 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 438.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 1114000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).