methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate

C16H23NO2 — CID 52946039

IUPACmethyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1CCCCN1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)15(16(18)19-3)14-6-4-5-7-17-14/h8-10,14-15,17H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKeyOQNVWHLLYQJVEV-HUUCEWRRSA-N
MW261.37 g/mol
LogP2.70
Rot. Bonds3

About methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 52946039) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID52946039
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1CCCCN1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)15(16(18)19-3)14-6-4-5-7-17-14/h8-10,14-15,17H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKeyOQNVWHLLYQJVEV-HUUCEWRRSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2R)-2-(4-nitrophenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52948756
methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
CID 10768332
ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 171381395
dimethyl 2,7-di(piperidin-2-yl)octanedioate
CID 24840701
dimethyl 2,6-di(piperidin-2-yl)heptanedioate
CID 24838598

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 52946039) is methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is OQNVWHLLYQJVEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)15(16(18)19-3)14-6-4-5-7-17-14/h8-10,14-15,17H,4-7H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 261.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 52946039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).