1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine

C15H23FN2O — CID 64979578

IUPAC1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
SMILESCOc1ccc(C(C)N2CC(C)NCC2C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-9-18(11(2)8-17-10)12(3)13-5-6-15(19-4)14(16)7-13/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyJLNWDOILGDKLHP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.58
Rot. Bonds3

About 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine

1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64979578) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
PubChem CID64979578
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
SMILESCOc1ccc(C(C)N2CC(C)NCC2C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-9-18(11(2)8-17-10)12(3)13-5-6-15(19-4)14(16)7-13/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyJLNWDOILGDKLHP-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine 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-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979644
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
CID 64979618
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786589
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
(2S)-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838452
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
propan-2-yl 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetate
CID 156538836

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine (CID 64979578) is 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine is COc1ccc(C(C)N2CC(C)NCC2C)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is JLNWDOILGDKLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-9-18(11(2)8-17-10)12(3)13-5-6-15(19-4)14(16)7-13/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine?
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 266.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64979578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).