1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone

C16H22F2N2O4 — CID 131963379

IUPAC1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone
SMILESCCOc1cccc(CN2CCN(C(=O)CO)CC2)c1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-2-23-13-5-3-4-12(15(13)24-16(17)18)10-19-6-8-20(9-7-19)14(22)11-21/h3-5,16,21H,2,6-11H2,1H3
InChIKeyZWRDVQWYZDHJFV-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.32
Rot. Bonds7

About 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone

1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 131963379) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID131963379
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone
SMILESCCOc1cccc(CN2CCN(C(=O)CO)CC2)c1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-2-23-13-5-3-4-12(15(13)24-16(17)18)10-19-6-8-20(9-7-19)14(22)11-21/h3-5,16,21H,2,6-11H2,1H3
InChIKeyZWRDVQWYZDHJFV-UHFFFAOYSA-N
XLogP1.32
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110426711
[4-(difluoromethoxy)-3-ethoxyphenyl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292969
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110613299
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110360003
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 127032087
2-chloro-1-[4-[(2-ethoxy-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 170962152
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328320
2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669116

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone (CID 131963379) is 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone is CCOc1cccc(CN2CCN(C(=O)CO)CC2)c1OC(F)F.
What is the InChIKey of 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is ZWRDVQWYZDHJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-2-23-13-5-3-4-12(15(13)24-16(17)18)10-19-6-8-20(9-7-19)14(22)11-21/h3-5,16,21H,2,6-11H2,1H3.
What are the key properties of 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 344.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 131963379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).