benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate

C17H23NO2 — CID 177321267

IUPACbenzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
SMILESC=CC1(CC)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-3-17(4-2)10-12-18(13-11-17)16(19)20-14-15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
InChIKeySULNJQSLUIRFQD-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.00
Rot. Bonds4

About benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate

benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate (PubChem CID 177321267) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
PubChem CID177321267
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namebenzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
SMILESC=CC1(CC)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-3-17(4-2)10-12-18(13-11-17)16(19)20-14-15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
InChIKeySULNJQSLUIRFQD-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.00
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

2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584
benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
CID 70136146
benzyl 4-ethyl-4-methyl-5-oxoazocane-1-carboxylate
CID 122548069
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536

Frequently Asked Questions

What is the IUPAC name of benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate (CID 177321267) is benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate is C=CC1(CC)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate?
The InChIKey is SULNJQSLUIRFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-17(4-2)10-12-18(13-11-17)16(19)20-14-15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3.
What are the key properties of benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate?
benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 177321267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).