ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate

C16H24N2O2 — CID 71035315

IUPACethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCNc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)14-8-11-18(12-9-14)13-10-17-15-6-4-3-5-7-15/h3-7,14,17H,2,8-13H2,1H3
InChIKeyIMXFLAAOVIURCE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds6

About ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate

ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate (PubChem CID 71035315) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
PubChem CID71035315
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCNc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)14-8-11-18(12-9-14)13-10-17-15-6-4-3-5-7-15/h3-7,14,17H,2,8-13H2,1H3
InChIKeyIMXFLAAOVIURCE-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-anilinoethyl)piperidine-4-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

N-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 61216518
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
ethyl 1-[N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157673
ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate
CID 2320026
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
CID 22668702
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate (CID 71035315) is ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCNc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate?
The InChIKey is IMXFLAAOVIURCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(19)14-8-11-18(12-9-14)13-10-17-15-6-4-3-5-7-15/h3-7,14,17H,2,8-13H2,1H3.
What are the key properties of ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate?
ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 71035315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).