methyl 4-benzylidenepiperidine-1-carboxylate

C14H17NO2 — CID 22893849

IUPACmethyl 4-benzylidenepiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c1-17-14(16)15-9-7-13(8-10-15)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMCABUYCBZHOJMF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.93
Rot. Bonds1

About methyl 4-benzylidenepiperidine-1-carboxylate

methyl 4-benzylidenepiperidine-1-carboxylate (PubChem CID 22893849) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is methyl 4-benzylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-benzylidenepiperidine-1-carboxylate
PubChem CID22893849
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namemethyl 4-benzylidenepiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c1-17-14(16)15-9-7-13(8-10-15)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMCABUYCBZHOJMF-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-benzylidenepiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylidenepiperidin-1-yl)-2-oxo-N-phenylacetamide
CID 59864375
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109414683
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
CID 71977454
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 71977451
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
methyl (4Z)-4-[[3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methylidene]azepane-1-carboxylate
CID 143489318
tert-butyl 4-[(3-aminophenyl)methylidene]piperidine-1-carboxylate
CID 166025750
4-benzylidene-1-methylsulfonylpiperidine
CID 71977085

Frequently Asked Questions

What is the IUPAC name of methyl 4-benzylidenepiperidine-1-carboxylate?
The IUPAC name of methyl 4-benzylidenepiperidine-1-carboxylate (CID 22893849) is methyl 4-benzylidenepiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-benzylidenepiperidine-1-carboxylate?
The canonical SMILES for methyl 4-benzylidenepiperidine-1-carboxylate is COC(=O)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of methyl 4-benzylidenepiperidine-1-carboxylate?
The InChIKey is MCABUYCBZHOJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-14(16)15-9-7-13(8-10-15)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of methyl 4-benzylidenepiperidine-1-carboxylate?
methyl 4-benzylidenepiperidine-1-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzylidenepiperidine-1-carboxylate is sourced from PubChem (CID 22893849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).