1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine

C11H14ClFN2O — CID 84802715

IUPAC1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)c(F)c1N1CCNCC1
InChIInChI=1S/C11H14ClFN2O/c1-16-9-3-2-8(12)10(13)11(9)15-6-4-14-5-7-15/h2-3,14H,4-7H2,1H3
InChIKeyHZNYHKIZXUZODZ-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine

1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine (PubChem CID 84802715) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
PubChem CID84802715
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)c(F)c1N1CCNCC1
InChIInChI=1S/C11H14ClFN2O/c1-16-9-3-2-8(12)10(13)11(9)15-6-4-14-5-7-15/h2-3,14H,4-7H2,1H3
InChIKeyHZNYHKIZXUZODZ-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

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Related Compounds

1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
CID 74891876
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
CID 177192883
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
4-chloro-3-methyl-2-piperazin-1-ylphenol
CID 84791178
3,5-difluoro-2-methoxy-4-piperazin-1-ylaniline
CID 88756943

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine (CID 84802715) is 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine is COc1ccc(Cl)c(F)c1N1CCNCC1.
What is the InChIKey of 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine?
The InChIKey is HZNYHKIZXUZODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-16-9-3-2-8(12)10(13)11(9)15-6-4-14-5-7-15/h2-3,14H,4-7H2,1H3.
What are the key properties of 1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine?
1-(3-chloro-2-fluoro-6-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-2-fluoro-6-methoxyphenyl)piperazine is sourced from PubChem (CID 84802715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).