2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate

C17H23Cl2NO2 — CID 587923

IUPAC2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate
SMILESCCC1CCC(C)N(CCOC(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H23Cl2NO2/c1-3-13-5-4-12(2)20(11-13)6-7-22-17(21)14-8-15(18)10-16(19)9-14/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyLCYMMAFVXPNSOC-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.66
Rot. Bonds5

About 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate (PubChem CID 587923) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate
PubChem CID587923
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate
SMILESCCC1CCC(C)N(CCOC(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H23Cl2NO2/c1-3-13-5-4-12(2)20(11-13)6-7-22-17(21)14-8-15(18)10-16(19)9-14/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyLCYMMAFVXPNSOC-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate 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

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
CID 587828
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2387502
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
CID 107913411
2-(2-methylpiperidin-1-yl)ethyl 3-amino-5-chloro-2-methoxybenzoate
CID 102065533
5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 112734477
2-(3-ethylcyclopentyl)ethyl 2,3,5-trichlorobenzoate
CID 141304099
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3,5-dichlorobenzoate
CID 56528622
ethyl 3-chloro-5-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]benzoate
CID 87723814
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
CID 154089606
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,5-dichlorobenzoate
CID 60592163
4-O-[2-[4-[(4-ethylcyclohexyl)methoxycarbonyl]benzoyl]oxyethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 54349547

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate?
The IUPAC name of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate (CID 587923) is 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate.
What is the SMILES notation for 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate?
The canonical SMILES for 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate is CCC1CCC(C)N(CCOC(=O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate?
The InChIKey is LCYMMAFVXPNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-3-13-5-4-12(2)20(11-13)6-7-22-17(21)14-8-15(18)10-16(19)9-14/h8-10,12-13H,3-7,11H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate?
2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate has a molecular weight of 344.28 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate is sourced from PubChem (CID 587923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).