ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate

C15H17ClN2O2 — CID 63093053

IUPACethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(Cl)ccc1C#N
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15(19)13-5-3-4-8-18(13)14-9-12(16)7-6-11(14)10-17/h6-7,9,13H,2-5,8H2,1H3
InChIKeyLWNWJGAPRDFUSO-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.13
Rot. Bonds3

About ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate

ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate (PubChem CID 63093053) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
PubChem CID63093053
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(Cl)ccc1C#N
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15(19)13-5-3-4-8-18(13)14-9-12(16)7-6-11(14)10-17/h6-7,9,13H,2-5,8H2,1H3
InChIKeyLWNWJGAPRDFUSO-UHFFFAOYSA-N
XLogP3.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate 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

ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 63083153
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
ethyl 1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylate
CID 115472011
methyl 1-(2-cyano-5-methylphenyl)piperidine-2-carboxylate
CID 115534548
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
4-chloro-2-(2-ethylpyrrolidin-1-yl)benzonitrile
CID 63093407
ethyl 1-(3-cyano-2,6-dimethyl-4-pyridinyl)pyrrolidine-2-carboxylate
CID 81060455
1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427574
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
methyl 1-(2-cyano-4-methylphenyl)piperidine-2-carboxylate
CID 107927702
ethyl 1-(3-fluoro-2-nitrophenyl)piperidine-2-carboxylate
CID 115539392
ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
CID 114765903

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate (CID 63093053) is ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1cc(Cl)ccc1C#N.
What is the InChIKey of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate?
The InChIKey is LWNWJGAPRDFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-20-15(19)13-5-3-4-8-18(13)14-9-12(16)7-6-11(14)10-17/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate?
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate has a molecular weight of 292.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate is sourced from PubChem (CID 63093053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).