ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate

C13H23NO4 — CID 14938381

IUPACethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)18-12(16)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyUPMPDRDLQCGOTI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.77
Rot. Bonds3

About ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate

ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate (PubChem CID 14938381) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
PubChem CID14938381
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)18-12(16)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyUPMPDRDLQCGOTI-UHFFFAOYSA-N
XLogP1.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate (CID 14938381) is ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate is CCOC(=O)C1CCN(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
The InChIKey is UPMPDRDLQCGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)18-12(16)13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate?
ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate is sourced from PubChem (CID 14938381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).