methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate

C17H24F2N2O3 — CID 169157118

IUPACmethyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C17H24F2N2O3/c1-23-17(22)12-14-2-4-15(5-3-14)24-11-10-20-6-8-21(9-7-20)13-16(18)19/h2-5,16H,6-13H2,1H3
InChIKeyQABXGYDHCKKSFJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.66
Rot. Bonds8

About methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate

methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate (PubChem CID 169157118) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate
PubChem CID169157118
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Namemethyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C17H24F2N2O3/c1-23-17(22)12-14-2-4-15(5-3-14)24-11-10-20-6-8-21(9-7-20)13-16(18)19/h2-5,16H,6-13H2,1H3
InChIKeyQABXGYDHCKKSFJ-UHFFFAOYSA-N
XLogP1.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate 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

methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110261
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate (CID 169157118) is methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCCN2CCN(CC(F)F)CC2)cc1.
What is the InChIKey of methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate?
The InChIKey is QABXGYDHCKKSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-23-17(22)12-14-2-4-15(5-3-14)24-11-10-20-6-8-21(9-7-20)13-16(18)19/h2-5,16H,6-13H2,1H3.
What are the key properties of methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate?
methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate has a molecular weight of 342.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethoxy]phenyl]acetate is sourced from PubChem (CID 169157118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).