benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate

C19H23NO2 — CID 123761482

IUPACbenzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate
SMILESC=CC(=CC)C=C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H23NO2/c1-3-16(4-2)14-17-10-12-20(13-11-17)19(21)22-15-18-8-6-5-7-9-18/h3-9,14H,1,10-13,15H2,2H3
InChIKeyYOXOFTJXXXOBAJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.48
Rot. Bonds4

About benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate

benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate (PubChem CID 123761482) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate
PubChem CID123761482
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namebenzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate
SMILESC=CC(=CC)C=C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H23NO2/c1-3-16(4-2)14-17-10-12-20(13-11-17)19(21)22-15-18-8-6-5-7-9-18/h3-9,14H,1,10-13,15H2,2H3
InChIKeyYOXOFTJXXXOBAJ-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate
CID 86642880
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-propanethioylpiperazine-1-carboxylate
CID 123985918
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
1-O-benzyl 4-O-methyl 5-hydroxy-2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CID 59142733
benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
CID 177321267
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate (CID 123761482) is benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate is C=CC(=CC)C=C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate?
The InChIKey is YOXOFTJXXXOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-16(4-2)14-17-10-12-20(13-11-17)19(21)22-15-18-8-6-5-7-9-18/h3-9,14H,1,10-13,15H2,2H3.
What are the key properties of benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate?
benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate is sourced from PubChem (CID 123761482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).