ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate

C12H23NO5 — CID 15096762

IUPACethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC)(OC)C(OCC)C1
InChIInChI=1S/C12H23NO5/c1-5-17-10-9-13(11(14)18-6-2)8-7-12(10,15-3)16-4/h10H,5-9H2,1-4H3
InChIKeyXINRZANQBNGQMK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds5

About ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate

ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate (PubChem CID 15096762) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate
PubChem CID15096762
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC)(OC)C(OCC)C1
InChIInChI=1S/C12H23NO5/c1-5-17-10-9-13(11(14)18-6-2)8-7-12(10,15-3)16-4/h10H,5-9H2,1-4H3
InChIKeyXINRZANQBNGQMK-UHFFFAOYSA-N
XLogP1.24
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate (CID 15096762) is ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate is CCOC(=O)N1CCC(OC)(OC)C(OCC)C1.
What is the InChIKey of ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate?
The InChIKey is XINRZANQBNGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-5-17-10-9-13(11(14)18-6-2)8-7-12(10,15-3)16-4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate?
ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-4,4-dimethoxypiperidine-1-carboxylate is sourced from PubChem (CID 15096762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).