5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine

C15H19F3N2 — CID 64940762

IUPAC5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
SMILESCCC1CNC(C2CC2)CN1c1cc(F)c(F)cc1F
InChIInChI=1S/C15H19F3N2/c1-2-10-7-19-14(9-3-4-9)8-20(10)15-6-12(17)11(16)5-13(15)18/h5-6,9-10,14,19H,2-4,7-8H2,1H3
InChIKeyZXJMNRQJEQFLCJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.07
Rot. Bonds3

About 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine

5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine (PubChem CID 64940762) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
PubChem CID64940762
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
SMILESCCC1CNC(C2CC2)CN1c1cc(F)c(F)cc1F
InChIInChI=1S/C15H19F3N2/c1-2-10-7-19-14(9-3-4-9)8-20(10)15-6-12(17)11(16)5-13(15)18/h5-6,9-10,14,19H,2-4,7-8H2,1H3
InChIKeyZXJMNRQJEQFLCJ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
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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Related Compounds

5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
5-cyclopropyl-2-ethyl-1-naphthalen-1-ylpiperazine
CID 64931553
1-(5-bromo-2,4-difluorophenyl)-2-ethyl-5-methylpiperazine
CID 102855209
1-(4-bromo-2,5-difluorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 107608147
5-cyclopropyl-2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine
CID 107464935
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
CID 64946841
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
CID 64933251
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
CID 64934243
3-ethyl-2-(2,4,5-trifluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938956
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine (CID 64940762) is 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine is CCC1CNC(C2CC2)CN1c1cc(F)c(F)cc1F.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine?
The InChIKey is ZXJMNRQJEQFLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-2-10-7-19-14(9-3-4-9)8-20(10)15-6-12(17)11(16)5-13(15)18/h5-6,9-10,14,19H,2-4,7-8H2,1H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine?
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine has a molecular weight of 284.32 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 5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64940762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).