ethyl 2-ethyl-6-methylpiperidine-4-carboxylate

C11H21NO2 — CID 70314119

IUPACethyl 2-ethyl-6-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CC(C)NC(CC)C1
InChIInChI=1S/C11H21NO2/c1-4-10-7-9(6-8(3)12-10)11(13)14-5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyXVYUIAGZDFZTDD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-ethyl-6-methylpiperidine-4-carboxylate

ethyl 2-ethyl-6-methylpiperidine-4-carboxylate (PubChem CID 70314119) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-ethyl-6-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-methylpiperidine-4-carboxylate
PubChem CID70314119
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-ethyl-6-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CC(C)NC(CC)C1
InChIInChI=1S/C11H21NO2/c1-4-10-7-9(6-8(3)12-10)11(13)14-5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyXVYUIAGZDFZTDD-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-methylpiperidine-4-carboxylate (CID 70314119) is ethyl 2-ethyl-6-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-methylpiperidine-4-carboxylate is CCOC(=O)C1CC(C)NC(CC)C1.
What is the InChIKey of ethyl 2-ethyl-6-methylpiperidine-4-carboxylate?
The InChIKey is XVYUIAGZDFZTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10-7-9(6-8(3)12-10)11(13)14-5-2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-ethyl-6-methylpiperidine-4-carboxylate?
ethyl 2-ethyl-6-methylpiperidine-4-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-methylpiperidine-4-carboxylate is sourced from PubChem (CID 70314119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).