ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate

C12H23NO4 — CID 70869304

IUPACethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(COCCOC)CCNCC1
InChIInChI=1S/C12H23NO4/c1-3-17-11(14)12(4-6-13-7-5-12)10-16-9-8-15-2/h13H,3-10H2,1-2H3
InChIKeyWEQGBTXXWMYENE-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.58
Rot. Bonds7

About ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate

ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate (PubChem CID 70869304) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
PubChem CID70869304
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(COCCOC)CCNCC1
InChIInChI=1S/C12H23NO4/c1-3-17-11(14)12(4-6-13-7-5-12)10-16-9-8-15-2/h13H,3-10H2,1-2H3
InChIKeyWEQGBTXXWMYENE-UHFFFAOYSA-N
XLogP0.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate (CID 70869304) is ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate is CCOC(=O)C1(COCCOC)CCNCC1.
What is the InChIKey of ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate?
The InChIKey is WEQGBTXXWMYENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-17-11(14)12(4-6-13-7-5-12)10-16-9-8-15-2/h13H,3-10H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate?
ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate is sourced from PubChem (CID 70869304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).