1-(2,4-difluorophenyl)piperazine;pyrrolidine

C14H21F2N3 — CID 143374840

IUPAC1-(2,4-difluorophenyl)piperazine;pyrrolidine
SMILESC1CCNC1.Fc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C10H12F2N2.C4H9N/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;1-2-4-5-3-1/h1-2,7,13H,3-6H2;5H,1-4H2
InChIKeyDNEONJLWANLSSN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.74
Rot. Bonds1

About 1-(2,4-difluorophenyl)piperazine;pyrrolidine

1-(2,4-difluorophenyl)piperazine;pyrrolidine (PubChem CID 143374840) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)piperazine;pyrrolidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)piperazine;pyrrolidine
PubChem CID143374840
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2,4-difluorophenyl)piperazine;pyrrolidine
SMILESC1CCNC1.Fc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C10H12F2N2.C4H9N/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;1-2-4-5-3-1/h1-2,7,13H,3-6H2;5H,1-4H2
InChIKeyDNEONJLWANLSSN-UHFFFAOYSA-N
XLogP1.74
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-deuterio-4-(2,4-difluorophenyl)piperazine
CID 175828610
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-(4-fluoro-2-iodophenyl)piperazine
CID 79766904
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
(3-fluoro-4-piperazin-1-ylphenyl)-methylsulfanium
CID 142440447
1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
CID 20785321
5-fluoro-2-piperazin-1-ylbenzenesulfonic acid
CID 86209670
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(2-fluoro-4-methylsulfinylphenyl)piperazine
CID 135346718
2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
CID 87765798
2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane
CID 142959102
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)piperazine;pyrrolidine?
The IUPAC name of 1-(2,4-difluorophenyl)piperazine;pyrrolidine (CID 143374840) is 1-(2,4-difluorophenyl)piperazine;pyrrolidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)piperazine;pyrrolidine?
The canonical SMILES for 1-(2,4-difluorophenyl)piperazine;pyrrolidine is C1CCNC1.Fc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)piperazine;pyrrolidine?
The InChIKey is DNEONJLWANLSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2.C4H9N/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;1-2-4-5-3-1/h1-2,7,13H,3-6H2;5H,1-4H2.
What are the key properties of 1-(2,4-difluorophenyl)piperazine;pyrrolidine?
1-(2,4-difluorophenyl)piperazine;pyrrolidine has a molecular weight of 269.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)piperazine;pyrrolidine is sourced from PubChem (CID 143374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).