benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate

C16H21NO3 — CID 118182040

IUPACbenzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
SMILESC=COCC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-2-19-12-15-9-6-10-17(11-15)16(18)20-13-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2
InChIKeyJUKABZLMMBPMDW-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.20
Rot. Bonds5

About benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate

benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate (PubChem CID 118182040) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
PubChem CID118182040
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
SMILESC=COCC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-2-19-12-15-9-6-10-17(11-15)16(18)20-13-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2
InChIKeyJUKABZLMMBPMDW-UHFFFAOYSA-N
XLogP3.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.20
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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Related Compounds

benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
(1-phenylmethoxycarbonylpiperidin-3-yl)methanesulfonic acid
CID 54551842
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268
benzyl (3R)-3-(3-chloropropyl)piperidine-1-carboxylate
CID 97166701
benzyl (3R)-3-(3-bromopropyl)piperidine-1-carboxylate
CID 97170477
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 3-[(trifluoromethylamino)methyl]piperidine-1-carboxylate
CID 71648887
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate (CID 118182040) is benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate is C=COCC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate?
The InChIKey is JUKABZLMMBPMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-19-12-15-9-6-10-17(11-15)16(18)20-13-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2.
What are the key properties of benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate?
benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 118182040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).