diethyl 4-methylidenepiperidine-2,6-dicarboxylate

C12H19NO4 — CID 15713248

IUPACdiethyl 4-methylidenepiperidine-2,6-dicarboxylate
SMILESC=C1CC(C(=O)OCC)NC(C(=O)OCC)C1
InChIInChI=1S/C12H19NO4/c1-4-16-11(14)9-6-8(3)7-10(13-9)12(15)17-5-2/h9-10,13H,3-7H2,1-2H3
InChIKeyAHMHNVHKDJFXEL-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.79
Rot. Bonds4

About diethyl 4-methylidenepiperidine-2,6-dicarboxylate

diethyl 4-methylidenepiperidine-2,6-dicarboxylate (PubChem CID 15713248) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is diethyl 4-methylidenepiperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methylidenepiperidine-2,6-dicarboxylate
PubChem CID15713248
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namediethyl 4-methylidenepiperidine-2,6-dicarboxylate
SMILESC=C1CC(C(=O)OCC)NC(C(=O)OCC)C1
InChIInChI=1S/C12H19NO4/c1-4-16-11(14)9-6-8(3)7-10(13-9)12(15)17-5-2/h9-10,13H,3-7H2,1-2H3
InChIKeyAHMHNVHKDJFXEL-UHFFFAOYSA-N
XLogP0.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-methylidenepiperidine-2,6-dicarboxylate?
The IUPAC name of diethyl 4-methylidenepiperidine-2,6-dicarboxylate (CID 15713248) is diethyl 4-methylidenepiperidine-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4-methylidenepiperidine-2,6-dicarboxylate?
The canonical SMILES for diethyl 4-methylidenepiperidine-2,6-dicarboxylate is C=C1CC(C(=O)OCC)NC(C(=O)OCC)C1.
What is the InChIKey of diethyl 4-methylidenepiperidine-2,6-dicarboxylate?
The InChIKey is AHMHNVHKDJFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-16-11(14)9-6-8(3)7-10(13-9)12(15)17-5-2/h9-10,13H,3-7H2,1-2H3.
What are the key properties of diethyl 4-methylidenepiperidine-2,6-dicarboxylate?
diethyl 4-methylidenepiperidine-2,6-dicarboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methylidenepiperidine-2,6-dicarboxylate is sourced from PubChem (CID 15713248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).