2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine

C14H21FN2O — CID 114263238

IUPAC2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1cc(F)cc(OC)c1
InChIInChI=1S/C14H21FN2O/c1-4-12-8-16-10(2)9-17(12)13-5-11(15)6-14(7-13)18-3/h5-7,10,12,16H,4,8-9H2,1-3H3
InChIKeyNODWELKBMOPEPF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.41
Rot. Bonds3

About 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine

2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine (PubChem CID 114263238) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
PubChem CID114263238
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1cc(F)cc(OC)c1
InChIInChI=1S/C14H21FN2O/c1-4-12-8-16-10(2)9-17(12)13-5-11(15)6-14(7-13)18-3/h5-7,10,12,16H,4,8-9H2,1-3H3
InChIKeyNODWELKBMOPEPF-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine 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

2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
1-(5-bromo-2,4-difluorophenyl)-2-ethyl-5-methylpiperazine
CID 102855209
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
CID 64954262
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine (CID 114263238) is 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine is CCC1CNC(C)CN1c1cc(F)cc(OC)c1.
What is the InChIKey of 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine?
The InChIKey is NODWELKBMOPEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-12-8-16-10(2)9-17(12)13-5-11(15)6-14(7-13)18-3/h5-7,10,12,16H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine?
2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine has a molecular weight of 252.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine is sourced from PubChem (CID 114263238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).