[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate

C17H25NO3 — CID 25021673

IUPAC[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate
SMILESC[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)N1C
InChIInChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3/t12-,14-,15-/m1/s1
InChIKeyQSAVEGSLJISCDF-BPLDGKMQSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds3

About [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate

[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate (PubChem CID 25021673) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate
PubChem CID25021673
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate
SMILESC[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)N1C
InChIInChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3/t12-,14-,15-/m1/s1
InChIKeyQSAVEGSLJISCDF-BPLDGKMQSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate (CID 25021673) is [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate is C[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)N1C.
What is the InChIKey of [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is QSAVEGSLJISCDF-BPLDGKMQSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3/t12-,14-,15-/m1/s1.
What are the key properties of [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate?
[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 291.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 25021673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).