2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

C16H15F6N3O — CID 6620776

IUPAC2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCCCC2)=N1
InChIInChI=1S/C16H15F6N3O/c17-15(18,19)14(16(20,21)22)23-12(11-7-3-1-4-8-11)26-13(24-14)25-9-5-2-6-10-25/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyRSYSZNOXUAUNJZ-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.13
Rot. Bonds1

About 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 6620776) has the molecular formula C16H15F6N3O and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID6620776
Molecular FormulaC16H15F6N3O
Molecular Weight379.30 g/mol
Exact Mass379.11
IUPAC Name2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCCCC2)=N1
InChIInChI=1S/C16H15F6N3O/c17-15(18,19)14(16(20,21)22)23-12(11-7-3-1-4-8-11)26-13(24-14)25-9-5-2-6-10-25/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyRSYSZNOXUAUNJZ-UHFFFAOYSA-N
XLogP4.13
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (CID 6620776) is 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCCCC2)=N1.
What is the InChIKey of 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is RSYSZNOXUAUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O/c17-15(18,19)14(16(20,21)22)23-12(11-7-3-1-4-8-11)26-13(24-14)25-9-5-2-6-10-25/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 379.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 6620776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).