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

C14H19NO3 — CID 3045249

IUPACmethyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(O)cc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKeyXVXFNANJMMTNSO-CHWSQXEVSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds3

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

methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 3045249) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID3045249
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(O)cc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKeyXVXFNANJMMTNSO-CHWSQXEVSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 3045249) is methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1ccc(O)cc1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is XVXFNANJMMTNSO-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 3045249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).