1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine

C13H18ClFN2O2 — CID 117466502

IUPAC1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1c(Cl)cc(CN2CCNCC2)c(OC)c1F
InChIInChI=1S/C13H18ClFN2O2/c1-18-12-9(8-17-5-3-16-4-6-17)7-10(14)13(19-2)11(12)15/h7,16H,3-6,8H2,1-2H3
InChIKeyDIZVVJVGWNXYAP-UHFFFAOYSA-N
MW288.75 g/mol
LogP1.90
Rot. Bonds4

About 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine

1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 117466502) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID117466502
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1c(Cl)cc(CN2CCNCC2)c(OC)c1F
InChIInChI=1S/C13H18ClFN2O2/c1-18-12-9(8-17-5-3-16-4-6-17)7-10(14)13(19-2)11(12)15/h7,16H,3-6,8H2,1-2H3
InChIKeyDIZVVJVGWNXYAP-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]piperazine
CID 117497936
1-[(3-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazine
CID 117400621
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine (CID 117466502) is 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine is COc1c(Cl)cc(CN2CCNCC2)c(OC)c1F.
What is the InChIKey of 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is DIZVVJVGWNXYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2/c1-18-12-9(8-17-5-3-16-4-6-17)7-10(14)13(19-2)11(12)15/h7,16H,3-6,8H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine?
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 288.75 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 117466502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).