ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate

C17H24ClNO3 — CID 110891469

IUPACethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClNO3/c1-2-22-17(21)11-13-7-9-19(10-8-13)12-16(20)14-5-3-4-6-15(14)18/h3-6,13,16,20H,2,7-12H2,1H3
InChIKeyBJPDFPRKFMCOBQ-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.04
Rot. Bonds6

About ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate

ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate (PubChem CID 110891469) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
PubChem CID110891469
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Nameethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClNO3/c1-2-22-17(21)11-13-7-9-19(10-8-13)12-16(20)14-5-3-4-6-15(14)18/h3-6,13,16,20H,2,7-12H2,1H3
InChIKeyBJPDFPRKFMCOBQ-UHFFFAOYSA-N
XLogP3.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]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

1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
CID 82216400
ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
CID 10849452
[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
1-(2-aminophenyl)-2-(4-ethoxypiperidin-1-yl)ethanol
CID 62264585
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate (CID 110891469) is ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate is CCOC(=O)CC1CCN(CC(O)c2ccccc2Cl)CC1.
What is the InChIKey of ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate?
The InChIKey is BJPDFPRKFMCOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-2-22-17(21)11-13-7-9-19(10-8-13)12-16(20)14-5-3-4-6-15(14)18/h3-6,13,16,20H,2,7-12H2,1H3.
What are the key properties of ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate?
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate has a molecular weight of 325.84 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate is sourced from PubChem (CID 110891469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).