ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate

C14H23NO2 — CID 11118090

IUPACethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
SMILESC=CCC1CCCC(CC=C)N1C(=O)OCC
InChIInChI=1S/C14H23NO2/c1-4-8-12-10-7-11-13(9-5-2)15(12)14(16)17-6-3/h4-5,12-13H,1-2,6-11H2,3H3
InChIKeyOQZJRJVIUNOOOZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.52
Rot. Bonds5

About ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate

ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate (PubChem CID 11118090) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
PubChem CID11118090
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
SMILESC=CCC1CCCC(CC=C)N1C(=O)OCC
InChIInChI=1S/C14H23NO2/c1-4-8-12-10-7-11-13(9-5-2)15(12)14(16)17-6-3/h4-5,12-13H,1-2,6-11H2,3H3
InChIKeyOQZJRJVIUNOOOZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazinium, 4-carboxy-1-methyl-1-(10-undecenyl)-, iodide, ethyl ester
CID 3066862
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
tert-butyl (2S)-2-prop-2-enylpiperidine-1-carboxylate
CID 11218388
Methyl 2-allylpiperidine-1-carboxylate
CID 11412765
Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 131238189
Tert-butyl 2-pent-4-enylpiperidine-1-carboxylate
CID 134963876
tert-butyl (2R)-2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 134966522
methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 135086030
Ethyl 4-methyl-4-undec-10-enylpiperazin-4-ium-1-carboxylate
CID 3066863

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate (CID 11118090) is ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate is C=CCC1CCCC(CC=C)N1C(=O)OCC.
What is the InChIKey of ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
The InChIKey is OQZJRJVIUNOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-8-12-10-7-11-13(9-5-2)15(12)14(16)17-6-3/h4-5,12-13H,1-2,6-11H2,3H3.
What are the key properties of ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 11118090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).