2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone

C15H20Cl2N2O3 — CID 99778261

IUPAC2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CCN1CCO
InChIInChI=1S/C15H20Cl2N2O3/c1-11-9-19(3-2-18(11)4-5-20)15(21)10-22-14-7-12(16)6-13(17)8-14/h6-8,11,20H,2-5,9-10H2,1H3/t11-/m1/s1
InChIKeyPSLLWXQXOBFIMJ-LLVKDONJSA-N
MW347.24 g/mol
LogP1.90
Rot. Bonds5

About 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone

2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone (PubChem CID 99778261) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
PubChem CID99778261
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CCN1CCO
InChIInChI=1S/C15H20Cl2N2O3/c1-11-9-19(3-2-18(11)4-5-20)15(21)10-22-14-7-12(16)6-13(17)8-14/h6-8,11,20H,2-5,9-10H2,1H3/t11-/m1/s1
InChIKeyPSLLWXQXOBFIMJ-LLVKDONJSA-N
XLogP1.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425847
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,5-dichlorophenoxy)ethanone
CID 120659713
2-(3,5-dichlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264363
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 3559203
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
benzyl (3R)-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxylate
CID 96554940
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371114
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone (CID 99778261) is 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone is C[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CCN1CCO.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is PSLLWXQXOBFIMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-11-9-19(3-2-18(11)4-5-20)15(21)10-22-14-7-12(16)6-13(17)8-14/h6-8,11,20H,2-5,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 347.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-1-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 99778261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).