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

C17H25NO3 — CID 7534

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IUPAC(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
SMILESCC1CC(OC(=O)C(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
InChIKeyQSAVEGSLJISCDF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds3

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

(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate (PubChem CID 7534) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
PubChem CID7534
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
SMILESCC1CC(OC(=O)C(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
InChIKeyQSAVEGSLJISCDF-UHFFFAOYSA-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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Related Compounds

Benactyzine
CID 9330
Oxybutynin
CID 4634
Trospium chloride
CID 5284631
Mepenzolate
CID 4057
Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium), 3-hydroxy-, chloride, benzilate
CID 107979
Propiverine
CID 4942
Glycopyrronium
CID 3494
Pipenzolate
CID 4832
C25H30ClNO3
CID 24804376
Trospium
CID 5284632
Mepenzolate Bromide
CID 6461
Npc13206
CID 5282593

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate?
The IUPAC name of (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate (CID 7534) is (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate.
What is the SMILES notation for (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate?
The canonical SMILES for (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate is CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C.
What is the InChIKey of (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate?
The InChIKey is QSAVEGSLJISCDF-UHFFFAOYSA-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.
What are the key properties of (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate?
(1,2,2,6-tetramethylpiperidin-4-yl) 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 (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).