ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate

C11H19NO2 — CID 51924331

IUPACethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate
SMILESC=CCN1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C11H19NO2/c1-3-7-12-8-5-6-10(9-12)11(13)14-4-2/h3,10H,1,4-9H2,2H3/t10-/m1/s1
InChIKeyVBPPHAFRXRCDSE-SNVBAGLBSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds4

About ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate

ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate (PubChem CID 51924331) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate
PubChem CID51924331
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate
SMILESC=CCN1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C11H19NO2/c1-3-7-12-8-5-6-10(9-12)11(13)14-4-2/h3,10H,1,4-9H2,2H3/t10-/m1/s1
InChIKeyVBPPHAFRXRCDSE-SNVBAGLBSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate (CID 51924331) is ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate is C=CCN1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate?
The InChIKey is VBPPHAFRXRCDSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-7-12-8-5-6-10(9-12)11(13)14-4-2/h3,10H,1,4-9H2,2H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate?
ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-prop-2-enylpiperidine-3-carboxylate is sourced from PubChem (CID 51924331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).