tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate

C13H23NO3 — CID 131238189

IUPACtert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
SMILESCO/C=C/C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(15)14-9-6-5-7-11(14)8-10-16-4/h8,10-11H,5-7,9H2,1-4H3/b10-8+
InChIKeyXSHMGRYRXTXLEM-CSKARUKUSA-N
MW241.33 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate

tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate (PubChem CID 131238189) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
PubChem CID131238189
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
SMILESCO/C=C/C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(15)14-9-6-5-7-11(14)8-10-16-4/h8,10-11H,5-7,9H2,1-4H3/b10-8+
InChIKeyXSHMGRYRXTXLEM-CSKARUKUSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate (CID 131238189) is tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate is CO/C=C/C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
The InChIKey is XSHMGRYRXTXLEM-CSKARUKUSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-12(15)14-9-6-5-7-11(14)8-10-16-4/h8,10-11H,5-7,9H2,1-4H3/b10-8+.
What are the key properties of tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 131238189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).