methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

C15H21NO3 — CID 10587632

IUPACmethyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(OC)cc1)[C@H]1CCCCN1
InChIInChI=1S/C15H21NO3/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyFCAMCDYOMMHOJE-ZIAGYGMSSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds4

About methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 10587632) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID10587632
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(OC)cc1)[C@H]1CCCCN1
InChIInChI=1S/C15H21NO3/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyFCAMCDYOMMHOJE-ZIAGYGMSSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
methyl (2R)-2-(4-nitrophenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52948756
methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52946039
methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
CID 10768332
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-1-ium-2-yl]acetate
CID 101024095
methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-1-ium-2-yl]acetate
CID 101024094

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 10587632) is methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1ccc(OC)cc1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is FCAMCDYOMMHOJE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 10587632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).