(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate

C15H21FN2O3 — CID 69141668

IUPAC(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
SMILESCOc1ccc(F)c(COC(=O)N2[C@H](C)CNC[C@@H]2C)c1
InChIInChI=1S/C15H21FN2O3/c1-10-7-17-8-11(2)18(10)15(19)21-9-12-6-13(20-3)4-5-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3/t10-,11+
InChIKeyFPKKGFOKZLWGLJ-PHIMTYICSA-N
MW296.34 g/mol
LogP2.15
Rot. Bonds3

About (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate

(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 69141668) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID69141668
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
SMILESCOc1ccc(F)c(COC(=O)N2[C@H](C)CNC[C@@H]2C)c1
InChIInChI=1S/C15H21FN2O3/c1-10-7-17-8-11(2)18(10)15(19)21-9-12-6-13(20-3)4-5-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3/t10-,11+
InChIKeyFPKKGFOKZLWGLJ-PHIMTYICSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate 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

(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22219866
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938
(5-butoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22220005
[2-fluoro-5-(3-phenylpropoxy)phenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
CID 21021892
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141542
[3-(3,4-dimethoxyphenyl)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69142110
[4-(difluoromethoxy)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69141564
(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 63909800
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
(3-phenylmethoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69142437
[3-(3-acetylphenyl)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69140927

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate (CID 69141668) is (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate is COc1ccc(F)c(COC(=O)N2[C@H](C)CNC[C@@H]2C)c1.
What is the InChIKey of (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is FPKKGFOKZLWGLJ-PHIMTYICSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10-7-17-8-11(2)18(10)15(19)21-9-12-6-13(20-3)4-5-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3/t10-,11+.
What are the key properties of (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 296.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 69141668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).