2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene

C14H20F6N5P — CID 3456282

IUPAC2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene
SMILESFC(F)(F)C1=NC(C(F)(F)F)=NP(N2CCCCC2)(N2CCCCC2)=N1
InChIInChI=1S/C14H20F6N5P/c15-13(16,17)11-21-12(14(18,19)20)23-26(22-11,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10H2
InChIKeyNZINAULIEUHLRG-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.84
Rot. Bonds2

About 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene

2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene (PubChem CID 3456282) has the molecular formula C14H20F6N5P and a molecular weight of 403.31 g/mol. Its IUPAC name is 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene
PubChem CID3456282
Molecular FormulaC14H20F6N5P
Molecular Weight403.31 g/mol
Exact Mass403.14
IUPAC Name2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene
SMILESFC(F)(F)C1=NC(C(F)(F)F)=NP(N2CCCCC2)(N2CCCCC2)=N1
InChIInChI=1S/C14H20F6N5P/c15-13(16,17)11-21-12(14(18,19)20)23-26(22-11,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10H2
InChIKeyNZINAULIEUHLRG-UHFFFAOYSA-N
XLogP4.84
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene (CID 3456282) is 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene is FC(F)(F)C1=NC(C(F)(F)F)=NP(N2CCCCC2)(N2CCCCC2)=N1.
What is the InChIKey of 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene?
The InChIKey is NZINAULIEUHLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N5P/c15-13(16,17)11-21-12(14(18,19)20)23-26(22-11,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10H2.
What are the key properties of 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene?
2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene has a molecular weight of 403.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 3456282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).