[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide

C14H19F3N3- — CID 158330325

IUPAC[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide
SMILES[NH-]c1ccc(N2CCN(CCCC(F)(F)F)CC2)cc1
InChIInChI=1S/C14H19F3N3/c15-14(16,17)6-1-7-19-8-10-20(11-9-19)13-4-2-12(18)3-5-13/h2-5,18H,1,6-11H2/q-1
InChIKeyGPXPOYPGEWXUFJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.83
Rot. Bonds4

About [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide

[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide (PubChem CID 158330325) has the molecular formula C14H19F3N3- and a molecular weight of 286.32 g/mol. Its IUPAC name is [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide.

Molecular Properties

Compound Name[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide
PubChem CID158330325
Molecular FormulaC14H19F3N3-
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide
SMILES[NH-]c1ccc(N2CCN(CCCC(F)(F)F)CC2)cc1
InChIInChI=1S/C14H19F3N3/c15-14(16,17)6-1-7-19-8-10-20(11-9-19)13-4-2-12(18)3-5-13/h2-5,18H,1,6-11H2/q-1
InChIKeyGPXPOYPGEWXUFJ-UHFFFAOYSA-N
XLogP3.83
TPSA30.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide?
The IUPAC name of [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide (CID 158330325) is [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide.
What is the SMILES notation for [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide?
The canonical SMILES for [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide is [NH-]c1ccc(N2CCN(CCCC(F)(F)F)CC2)cc1.
What is the InChIKey of [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide?
The InChIKey is GPXPOYPGEWXUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N3/c15-14(16,17)6-1-7-19-8-10-20(11-9-19)13-4-2-12(18)3-5-13/h2-5,18H,1,6-11H2/q-1.
What are the key properties of [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide?
[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide has a molecular weight of 286.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide is sourced from PubChem (CID 158330325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).