diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate

C15H25NO4 — CID 118666705

IUPACdiethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate
SMILESC=C(C)CC1(C(=O)OCC)CCN(C(=O)OCC)CC1
InChIInChI=1S/C15H25NO4/c1-5-19-13(17)15(11-12(3)4)7-9-16(10-8-15)14(18)20-6-2/h3,5-11H2,1-2,4H3
InChIKeyNZCKADJHYHNGQP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.75
Rot. Bonds5

About diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate

diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate (PubChem CID 118666705) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate
PubChem CID118666705
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namediethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate
SMILESC=C(C)CC1(C(=O)OCC)CCN(C(=O)OCC)CC1
InChIInChI=1S/C15H25NO4/c1-5-19-13(17)15(11-12(3)4)7-9-16(10-8-15)14(18)20-6-2/h3,5-11H2,1-2,4H3
InChIKeyNZCKADJHYHNGQP-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate?
The IUPAC name of diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate (CID 118666705) is diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate is C=C(C)CC1(C(=O)OCC)CCN(C(=O)OCC)CC1.
What is the InChIKey of diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate?
The InChIKey is NZCKADJHYHNGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-19-13(17)15(11-12(3)4)7-9-16(10-8-15)14(18)20-6-2/h3,5-11H2,1-2,4H3.
What are the key properties of diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate?
diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2-methylprop-2-enyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 118666705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).