1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine

C13H18F2N2 — CID 20613804

IUPAC1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyADVPEHSLDMSTJW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.50
Rot. Bonds2

About 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine

1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine (PubChem CID 20613804) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
PubChem CID20613804
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyADVPEHSLDMSTJW-UHFFFAOYSA-N
XLogP2.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
CID 123523623
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 70912989
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-deuterio-4-(2,4-difluorophenyl)piperazine
CID 175828610
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine (CID 20613804) is 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine?
The InChIKey is ADVPEHSLDMSTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine?
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine has a molecular weight of 240.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 20613804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).