methyl 4-(2-piperidin-3-ylethyl)benzoate

C15H21NO2 — CID 126844861

IUPACmethyl 4-(2-piperidin-3-ylethyl)benzoate
SMILESCOC(=O)c1ccc(CCC2CCCNC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyXWJSVAHMNYXFOU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds4

About methyl 4-(2-piperidin-3-ylethyl)benzoate

methyl 4-(2-piperidin-3-ylethyl)benzoate (PubChem CID 126844861) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 4-(2-piperidin-3-ylethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-piperidin-3-ylethyl)benzoate
PubChem CID126844861
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 4-(2-piperidin-3-ylethyl)benzoate
SMILESCOC(=O)c1ccc(CCC2CCCNC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyXWJSVAHMNYXFOU-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2-piperidin-3-ylethyl)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 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
4-(2-pyrrolidin-3-ylethyl)benzoic acid;hydrochloride
CID 126844922
1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
CID 67240233
methyl 4-[[(3R)-piperidin-3-yl]sulfamoylmethyl]benzoate
CID 104645715
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-piperidin-3-ylethyl)benzoate?
The IUPAC name of methyl 4-(2-piperidin-3-ylethyl)benzoate (CID 126844861) is methyl 4-(2-piperidin-3-ylethyl)benzoate.
What is the SMILES notation for methyl 4-(2-piperidin-3-ylethyl)benzoate?
The canonical SMILES for methyl 4-(2-piperidin-3-ylethyl)benzoate is COC(=O)c1ccc(CCC2CCCNC2)cc1.
What is the InChIKey of methyl 4-(2-piperidin-3-ylethyl)benzoate?
The InChIKey is XWJSVAHMNYXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h6-9,13,16H,2-5,10-11H2,1H3.
What are the key properties of methyl 4-(2-piperidin-3-ylethyl)benzoate?
methyl 4-(2-piperidin-3-ylethyl)benzoate has a molecular weight of 247.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-piperidin-3-ylethyl)benzoate is sourced from PubChem (CID 126844861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).