1,4-diethylpiperidine-2-carboxylate

C10H18NO2- — CID 24820601

IUPAC1,4-diethylpiperidine-2-carboxylate
SMILESCCC1CCN(CC)C(C(=O)[O-])C1
InChIInChI=1S/C10H19NO2/c1-3-8-5-6-11(4-2)9(7-8)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/p-1
InChIKeyLEMBAWJBWHZPLL-UHFFFAOYSA-M
MW184.26 g/mol
LogP0.25
Rot. Bonds3

About 1,4-diethylpiperidine-2-carboxylate

1,4-diethylpiperidine-2-carboxylate (PubChem CID 24820601) has the molecular formula C10H18NO2- and a molecular weight of 184.26 g/mol. Its IUPAC name is 1,4-diethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name1,4-diethylpiperidine-2-carboxylate
PubChem CID24820601
Molecular FormulaC10H18NO2-
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name1,4-diethylpiperidine-2-carboxylate
SMILESCCC1CCN(CC)C(C(=O)[O-])C1
InChIInChI=1S/C10H19NO2/c1-3-8-5-6-11(4-2)9(7-8)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/p-1
InChIKeyLEMBAWJBWHZPLL-UHFFFAOYSA-M
XLogP0.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperidine-2-carboxylate?
The IUPAC name of 1,4-diethylpiperidine-2-carboxylate (CID 24820601) is 1,4-diethylpiperidine-2-carboxylate.
What is the SMILES notation for 1,4-diethylpiperidine-2-carboxylate?
The canonical SMILES for 1,4-diethylpiperidine-2-carboxylate is CCC1CCN(CC)C(C(=O)[O-])C1.
What is the InChIKey of 1,4-diethylpiperidine-2-carboxylate?
The InChIKey is LEMBAWJBWHZPLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO2/c1-3-8-5-6-11(4-2)9(7-8)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 1,4-diethylpiperidine-2-carboxylate?
1,4-diethylpiperidine-2-carboxylate has a molecular weight of 184.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperidine-2-carboxylate is sourced from PubChem (CID 24820601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).