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

C13H15F3N2 — CID 64952382

IUPAC3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESFc1cc(F)c(F)c(N2CCNC(C3CC3)C2)c1
InChIInChI=1S/C13H15F3N2/c14-9-5-10(15)13(16)12(6-9)18-4-3-17-11(7-18)8-1-2-8/h5-6,8,11,17H,1-4,7H2
InChIKeyKQGGGSCJPZDPBZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.29
Rot. Bonds2

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

3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine (PubChem CID 64952382) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine
PubChem CID64952382
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESFc1cc(F)c(F)c(N2CCNC(C3CC3)C2)c1
InChIInChI=1S/C13H15F3N2/c14-9-5-10(15)13(16)12(6-9)18-4-3-17-11(7-18)8-1-2-8/h5-6,8,11,17H,1-4,7H2
InChIKeyKQGGGSCJPZDPBZ-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.29
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

3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
CID 64924730
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-1,4-diazepane
CID 64945171
3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine
CID 64925423
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane
CID 107594258
3-cyclopropyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64943298
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64832815
3-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)-1,4-diazepane
CID 83081680
1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 62809520
3-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)-1,4-diazepane
CID 64948986
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 107640057
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine (CID 64952382) is 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine is Fc1cc(F)c(F)c(N2CCNC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine?
The InChIKey is KQGGGSCJPZDPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-9-5-10(15)13(16)12(6-9)18-4-3-17-11(7-18)8-1-2-8/h5-6,8,11,17H,1-4,7H2.
What are the key properties of 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine?
3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine has a molecular weight of 256.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64952382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).