methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate

C17H25NO3 — CID 551073

IUPACmethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1(O)CC(C)N(C)CC1C
InChIInChI=1S/C17H25NO3/c1-12-11-18(3)13(2)10-17(12,20)15(16(19)21-4)14-8-6-5-7-9-14/h5-9,12-13,15,20H,10-11H2,1-4H3
InChIKeyXGFOAXWEGYBKCA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.03
Rot. Bonds3

About methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate

methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate (PubChem CID 551073) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate
PubChem CID551073
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1(O)CC(C)N(C)CC1C
InChIInChI=1S/C17H25NO3/c1-12-11-18(3)13(2)10-17(12,20)15(16(19)21-4)14-8-6-5-7-9-14/h5-9,12-13,15,20H,10-11H2,1-4H3
InChIKeyXGFOAXWEGYBKCA-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate (CID 551073) is methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)C1(O)CC(C)N(C)CC1C.
What is the InChIKey of methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate?
The InChIKey is XGFOAXWEGYBKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-11-18(3)13(2)10-17(12,20)15(16(19)21-4)14-8-6-5-7-9-14/h5-9,12-13,15,20H,10-11H2,1-4H3.
What are the key properties of methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate?
methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate has a molecular weight of 291.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)-2-phenylacetate is sourced from PubChem (CID 551073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).