2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene

C14H22F6N7P — CID 3273796

IUPAC2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
SMILESCN1CCN(P2(N3CCN(C)CC3)=NC(C(F)(F)F)=NC(C(F)(F)F)=N2)CC1
InChIInChI=1S/C14H22F6N7P/c1-24-3-7-26(8-4-24)28(27-9-5-25(2)6-10-27)22-11(13(15,16)17)21-12(23-28)14(18,19)20/h3-10H2,1-2H3
InChIKeyWIXOSXYTMXAUTQ-UHFFFAOYSA-N
MW433.34 g/mol
LogP2.36
Rot. Bonds2

About 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene

2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene (PubChem CID 3273796) has the molecular formula C14H22F6N7P and a molecular weight of 433.34 g/mol. Its IUPAC name is 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
PubChem CID3273796
Molecular FormulaC14H22F6N7P
Molecular Weight433.34 g/mol
Exact Mass433.16
IUPAC Name2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
SMILESCN1CCN(P2(N3CCN(C)CC3)=NC(C(F)(F)F)=NC(C(F)(F)F)=N2)CC1
InChIInChI=1S/C14H22F6N7P/c1-24-3-7-26(8-4-24)28(27-9-5-25(2)6-10-27)22-11(13(15,16)17)21-12(23-28)14(18,19)20/h3-10H2,1-2H3
InChIKeyWIXOSXYTMXAUTQ-UHFFFAOYSA-N
XLogP2.36
TPSA50.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-amine, N,N-dimethyl-4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041964
2,2-Di(piperidin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
CID 3456282

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene (CID 3273796) is 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene is CN1CCN(P2(N3CCN(C)CC3)=NC(C(F)(F)F)=NC(C(F)(F)F)=N2)CC1.
What is the InChIKey of 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
The InChIKey is WIXOSXYTMXAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6N7P/c1-24-3-7-26(8-4-24)28(27-9-5-25(2)6-10-27)22-11(13(15,16)17)21-12(23-28)14(18,19)20/h3-10H2,1-2H3.
What are the key properties of 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene has a molecular weight of 433.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylpiperazin-1-yl)-4,6-bis(trifluoromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 3273796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).