1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine

C11H14ClFN2O — CID 59822768

IUPAC1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine
SMILESCOc1c(F)cc(N2CCNCC2)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-16-11-9(12)6-8(7-10(11)13)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyZKUSRALTOVHPJU-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine

1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine (PubChem CID 59822768) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine
PubChem CID59822768
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine
SMILESCOc1c(F)cc(N2CCNCC2)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-16-11-9(12)6-8(7-10(11)13)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyZKUSRALTOVHPJU-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine (CID 59822768) is 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine is COc1c(F)cc(N2CCNCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine?
The InChIKey is ZKUSRALTOVHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-16-11-9(12)6-8(7-10(11)13)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine?
1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine has a molecular weight of 244.70 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-methoxyphenyl)piperazine is sourced from PubChem (CID 59822768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).