methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate

C15H21NO2 — CID 10106029

IUPACmethyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyWJZNCJIOIACDBR-KBPBESRZSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds3

About methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate

methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate (PubChem CID 10106029) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate
PubChem CID10106029
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyWJZNCJIOIACDBR-KBPBESRZSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate (CID 10106029) is methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate is COC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCCN1.
What is the InChIKey of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate?
The InChIKey is WJZNCJIOIACDBR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate?
methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate has a molecular weight of 247.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate is sourced from PubChem (CID 10106029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).