ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate

C17H23NO2 — CID 135019118

IUPACethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate
SMILESC=C1CCN(Cc2ccccc2)CC1(C)C(=O)OCC
InChIInChI=1S/C17H23NO2/c1-4-20-16(19)17(3)13-18(11-10-14(17)2)12-15-8-6-5-7-9-15/h5-9H,2,4,10-13H2,1,3H3
InChIKeyHCSBZZWDAMSBPX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds4

About ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate

ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate (PubChem CID 135019118) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate
PubChem CID135019118
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate
SMILESC=C1CCN(Cc2ccccc2)CC1(C)C(=O)OCC
InChIInChI=1S/C17H23NO2/c1-4-20-16(19)17(3)13-18(11-10-14(17)2)12-15-8-6-5-7-9-15/h5-9H,2,4,10-13H2,1,3H3
InChIKeyHCSBZZWDAMSBPX-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl 1-benzyl-3-methylidenepyrrolidine-2,2-dicarboxylate
CID 102257993
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
ethyl 2-(1-benzyl-3,3-difluoropiperidin-4-ylidene)acetate
CID 131847408
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
ethyl (1R,5S)-3-benzyl-8-oxo-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 98073444
ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353874
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate (CID 135019118) is ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate is C=C1CCN(Cc2ccccc2)CC1(C)C(=O)OCC.
What is the InChIKey of ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate?
The InChIKey is HCSBZZWDAMSBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-20-16(19)17(3)13-18(11-10-14(17)2)12-15-8-6-5-7-9-15/h5-9H,2,4,10-13H2,1,3H3.
What are the key properties of ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate?
ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate is sourced from PubChem (CID 135019118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).