1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine

C15H23FN2O — CID 117420263

IUPAC1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
SMILESCCc1c(CCN2CCNCC2)cc(F)cc1OC
InChIInChI=1S/C15H23FN2O/c1-3-14-12(10-13(16)11-15(14)19-2)4-7-18-8-5-17-6-9-18/h10-11,17H,3-9H2,1-2H3
InChIKeyNPYZDCINFAOFMM-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine

1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine (PubChem CID 117420263) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
PubChem CID117420263
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
SMILESCCc1c(CCN2CCNCC2)cc(F)cc1OC
InChIInChI=1S/C15H23FN2O/c1-3-14-12(10-13(16)11-15(14)19-2)4-7-18-8-5-17-6-9-18/h10-11,17H,3-9H2,1-2H3
InChIKeyNPYZDCINFAOFMM-UHFFFAOYSA-N
XLogP1.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
CID 117450445
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine (CID 117420263) is 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine is CCc1c(CCN2CCNCC2)cc(F)cc1OC.
What is the InChIKey of 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine?
The InChIKey is NPYZDCINFAOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-14-12(10-13(16)11-15(14)19-2)4-7-18-8-5-17-6-9-18/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine?
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine has a molecular weight of 266.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 117420263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).