methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate

C16H21NO2 — CID 142954036

IUPACmethyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1/C=C\C1CCNCC1C
InChIInChI=1S/C16H21NO2/c1-12-11-17-10-9-13(12)7-8-14-5-3-4-6-15(14)16(18)19-2/h3-8,12-13,17H,9-11H2,1-2H3/b8-7-
InChIKeyLSXTWNHMAZVBNE-FPLPWBNLSA-N
MW259.35 g/mol
LogP2.73
Rot. Bonds3

About methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate

methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate (PubChem CID 142954036) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate
PubChem CID142954036
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namemethyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1/C=C\C1CCNCC1C
InChIInChI=1S/C16H21NO2/c1-12-11-17-10-9-13(12)7-8-14-5-3-4-6-15(14)16(18)19-2/h3-8,12-13,17H,9-11H2,1-2H3/b8-7-
InChIKeyLSXTWNHMAZVBNE-FPLPWBNLSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate 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

methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
CID 120724964
methyl 2-[(E)-2-(1-methyl-4-oxo-2,3-dihydroquinazolin-2-yl)ethenyl]benzoate
CID 101116620
methyl 2-[(Z)-4-methoxy-3,4-dioxobut-1-enyl]benzoate
CID 11708584
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
methyl 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate
CID 54353932
methyl 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate
CID 18800850
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
methyl 2-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9026728
methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate?
The IUPAC name of methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate (CID 142954036) is methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate is COC(=O)c1ccccc1/C=C\C1CCNCC1C.
What is the InChIKey of methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate?
The InChIKey is LSXTWNHMAZVBNE-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-11-17-10-9-13(12)7-8-14-5-3-4-6-15(14)16(18)19-2/h3-8,12-13,17H,9-11H2,1-2H3/b8-7-.
What are the key properties of methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate?
methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate has a molecular weight of 259.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate is sourced from PubChem (CID 142954036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).