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

C15H22ClNO2 — CID 45259415

IUPACmethyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21NO2.ClH/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;1H/t13-,14-;/m0./s1
InChIKeyRTUOEPCDJYLTKH-IODNYQNNSA-N
MW283.80 g/mol
LogP2.82
Rot. Bonds3

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

methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 45259415) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID45259415
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Namemethyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21NO2.ClH/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;1H/t13-,14-;/m0./s1
InChIKeyRTUOEPCDJYLTKH-IODNYQNNSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 45259415) is methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is COC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is RTUOEPCDJYLTKH-IODNYQNNSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/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;1H/t13-,14-;/m0./s1.
What are the key properties of methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.82, 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;hydrochloride is sourced from PubChem (CID 45259415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).