ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate

C16H24N2O3 — CID 119050059

IUPACethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(COC)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-8-15(9-11-18)17-14-6-4-13(5-7-14)12-20-2/h4-7,15,17H,3,8-12H2,1-2H3
InChIKeyJFECETAXAZLOOH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.87
Rot. Bonds5

About ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate

ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate (PubChem CID 119050059) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
PubChem CID119050059
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(COC)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-8-15(9-11-18)17-14-6-4-13(5-7-14)12-20-2/h4-7,15,17H,3,8-12H2,1-2H3
InChIKeyJFECETAXAZLOOH-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[4-(cyanomethyl)anilino]piperidine-1-carboxylate
CID 43786390
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
ethyl 4-[[N-[[4-(methoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327149
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
benzyl 4-[4-(1,2,2-tricyanoethenylamino)anilino]piperidine-1-carboxylate
CID 168608705
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
ethyl 4-[N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163903
ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
CID 43781917

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate (CID 119050059) is ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(COC)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate?
The InChIKey is JFECETAXAZLOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-8-15(9-11-18)17-14-6-4-13(5-7-14)12-20-2/h4-7,15,17H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate?
ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 119050059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).