1-(3-fluoro-2,4-dimethoxyphenyl)piperazine

C12H17FN2O2 — CID 84800502

IUPAC1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)c(OC)c1F
InChIInChI=1S/C12H17FN2O2/c1-16-10-4-3-9(12(17-2)11(10)13)15-7-5-14-6-8-15/h3-4,14H,5-8H2,1-2H3
InChIKeyGAEYOBPNKSBKPD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.25
Rot. Bonds3

About 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine

1-(3-fluoro-2,4-dimethoxyphenyl)piperazine (PubChem CID 84800502) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
PubChem CID84800502
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)c(OC)c1F
InChIInChI=1S/C12H17FN2O2/c1-16-10-4-3-9(12(17-2)11(10)13)15-7-5-14-6-8-15/h3-4,14H,5-8H2,1-2H3
InChIKeyGAEYOBPNKSBKPD-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 71756588
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
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CID 84802715
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
CID 115047761
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
2,6-dimethoxy-3-piperidin-1-ylphenol
CID 177031782
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine?
The IUPAC name of 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine (CID 84800502) is 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine is COc1ccc(N2CCNCC2)c(OC)c1F.
What is the InChIKey of 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine?
The InChIKey is GAEYOBPNKSBKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-16-10-4-3-9(12(17-2)11(10)13)15-7-5-14-6-8-15/h3-4,14H,5-8H2,1-2H3.
What are the key properties of 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine?
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine has a molecular weight of 240.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,4-dimethoxyphenyl)piperazine is sourced from PubChem (CID 84800502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).