ethyl 4-(4-methylanilino)piperidine-1-carboxylate

C15H22N2O2 — CID 867182

IUPACethyl 4-(4-methylanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)17-10-8-14(9-11-17)16-13-6-4-12(2)5-7-13/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyFUUMGBAYZHJVPQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.03
Rot. Bonds3

About ethyl 4-(4-methylanilino)piperidine-1-carboxylate

ethyl 4-(4-methylanilino)piperidine-1-carboxylate (PubChem CID 867182) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 4-(4-methylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylanilino)piperidine-1-carboxylate
PubChem CID867182
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 4-(4-methylanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)17-10-8-14(9-11-17)16-13-6-4-12(2)5-7-13/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyFUUMGBAYZHJVPQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-methylanilino)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methylanilino)piperidine-1-carboxylate (CID 867182) is ethyl 4-(4-methylanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methylanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-(4-methylanilino)piperidine-1-carboxylate?
The InChIKey is FUUMGBAYZHJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)17-10-8-14(9-11-17)16-13-6-4-12(2)5-7-13/h4-7,14,16H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-(4-methylanilino)piperidine-1-carboxylate?
ethyl 4-(4-methylanilino)piperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 867182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).