ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate

C17H26N2O2 — CID 114509075

IUPACethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(C)cc2)CCNCC1CC
InChIInChI=1S/C17H26N2O2/c1-4-14-12-18-11-10-17(14,16(20)21-5-2)19-15-8-6-13(3)7-9-15/h6-9,14,18-19H,4-5,10-12H2,1-3H3
InChIKeyGDAXZURNZJCQOC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds5

About ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate

ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate (PubChem CID 114509075) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
PubChem CID114509075
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(C)cc2)CCNCC1CC
InChIInChI=1S/C17H26N2O2/c1-4-14-12-18-11-10-17(14,16(20)21-5-2)19-15-8-6-13(3)7-9-15/h6-9,14,18-19H,4-5,10-12H2,1-3H3
InChIKeyGDAXZURNZJCQOC-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
CID 114509111
methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114500540
ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
CID 114509125
3-ethyl-4-(methylamino)piperidine-4-carboxamide
CID 114508060
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
ethyl 4-(2-bromoanilino)-3-methylpiperidine-4-carboxylate
CID 114500563
ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate
CID 80699790
ethyl 1-(4-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563427
methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
CID 114509064
ethyl 3-(4-fluoroanilino)-2-methyloxolane-3-carboxylate
CID 82719419
ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114500523
ethyl 3-(4-fluoroanilino)-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 60992355

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate (CID 114509075) is ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate is CCOC(=O)C1(Nc2ccc(C)cc2)CCNCC1CC.
What is the InChIKey of ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate?
The InChIKey is GDAXZURNZJCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-14-12-18-11-10-17(14,16(20)21-5-2)19-15-8-6-13(3)7-9-15/h6-9,14,18-19H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate?
ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 114509075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).