2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid

C15H17Cl2NO4 — CID 146102267

IUPAC2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H17Cl2NO4/c16-11-2-1-3-12(17)10(11)8-13(19)18-6-4-9(5-7-18)14(20)15(21)22/h1-3,9,14,20H,4-8H2,(H,21,22)
InChIKeyZZOWRKWVRHIYFF-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid

2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid (PubChem CID 146102267) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
PubChem CID146102267
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H17Cl2NO4/c16-11-2-1-3-12(17)10(11)8-13(19)18-6-4-9(5-7-18)14(20)15(21)22/h1-3,9,14,20H,4-8H2,(H,21,22)
InChIKeyZZOWRKWVRHIYFF-UHFFFAOYSA-N
XLogP2.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 106838886
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,6-dichlorophenyl)ethanone
CID 119638994
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746374
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
2-[1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetic acid
CID 166274359
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid (CID 146102267) is 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid is O=C(O)C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid?
The InChIKey is ZZOWRKWVRHIYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c16-11-2-1-3-12(17)10(11)8-13(19)18-6-4-9(5-7-18)14(20)15(21)22/h1-3,9,14,20H,4-8H2,(H,21,22).
What are the key properties of 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid?
2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid has a molecular weight of 346.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 146102267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).