3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine

C14H19F3N2 — CID 64952179

IUPAC3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCCC1(CC)CN(c2cc(F)cc(F)c2F)CCN1
InChIInChI=1S/C14H19F3N2/c1-3-14(4-2)9-19(6-5-18-14)12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9H2,1-2H3
InChIKeyGFPUXPAVDHGJHG-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.07
Rot. Bonds3

About 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine

3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine (PubChem CID 64952179) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine
PubChem CID64952179
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCCC1(CC)CN(c2cc(F)cc(F)c2F)CCN1
InChIInChI=1S/C14H19F3N2/c1-3-14(4-2)9-19(6-5-18-14)12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9H2,1-2H3
InChIKeyGFPUXPAVDHGJHG-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine (CID 64952179) is 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine is CCC1(CC)CN(c2cc(F)cc(F)c2F)CCN1.
What is the InChIKey of 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine?
The InChIKey is GFPUXPAVDHGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-3-14(4-2)9-19(6-5-18-14)12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine?
3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine has a molecular weight of 272.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64952179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).