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

C14H21FN2O2 — CID 117424695

IUPAC1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1cc(CCN2CCNCC2)cc(F)c1OC
InChIInChI=1S/C14H21FN2O2/c1-18-13-10-11(9-12(15)14(13)19-2)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeyNUANQWPBTMEDFV-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.29
Rot. Bonds5

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

1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine (PubChem CID 117424695) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
PubChem CID117424695
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1cc(CCN2CCNCC2)cc(F)c1OC
InChIInChI=1S/C14H21FN2O2/c1-18-13-10-11(9-12(15)14(13)19-2)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeyNUANQWPBTMEDFV-UHFFFAOYSA-N
XLogP1.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
CID 144811327
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 3070229
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
CID 117353440
7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
CID 117440749
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine (CID 117424695) is 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine is COc1cc(CCN2CCNCC2)cc(F)c1OC.
What is the InChIKey of 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is NUANQWPBTMEDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-13-10-11(9-12(15)14(13)19-2)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine?
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 268.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 117424695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).