methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate

C16H21NO4 — CID 162354073

IUPACmethyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
SMILESCOC(=O)c1c(C=C2CCNCC2)cc(OC)cc1OC
InChIInChI=1S/C16H21NO4/c1-19-13-9-12(8-11-4-6-17-7-5-11)15(16(18)21-3)14(10-13)20-2/h8-10,17H,4-7H2,1-3H3
InChIKeyCYOIMZCWVKOCDG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds4

About methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate

methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate (PubChem CID 162354073) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
PubChem CID162354073
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
SMILESCOC(=O)c1c(C=C2CCNCC2)cc(OC)cc1OC
InChIInChI=1S/C16H21NO4/c1-19-13-9-12(8-11-4-6-17-7-5-11)15(16(18)21-3)14(10-13)20-2/h8-10,17H,4-7H2,1-3H3
InChIKeyCYOIMZCWVKOCDG-UHFFFAOYSA-N
XLogP2.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate
CID 174732754
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829
4-[(4-methoxyphenyl)methylidene]piperidine
CID 20811455
methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
CID 10467917
1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone
CID 67275158
methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate?
The IUPAC name of methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate (CID 162354073) is methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate?
The canonical SMILES for methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate is COC(=O)c1c(C=C2CCNCC2)cc(OC)cc1OC.
What is the InChIKey of methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate?
The InChIKey is CYOIMZCWVKOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-19-13-9-12(8-11-4-6-17-7-5-11)15(16(18)21-3)14(10-13)20-2/h8-10,17H,4-7H2,1-3H3.
What are the key properties of methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate?
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate has a molecular weight of 291.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate is sourced from PubChem (CID 162354073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).