[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate

C16H22N2O3 — CID 867145

IUPAC[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate
SMILESCC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1O
InChIInChI=1S/C16H22N2O3/c1-15(2)10-13(11-16(3,4)18(15)20)17-21-14(19)12-8-6-5-7-9-12/h5-9,20H,10-11H2,1-4H3
InChIKeyGOAHXSWMTGPHHY-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.24
Rot. Bonds2

About [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate

[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate (PubChem CID 867145) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate.

Molecular Properties

Compound Name[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate
PubChem CID867145
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate
SMILESCC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1O
InChIInChI=1S/C16H22N2O3/c1-15(2)10-13(11-16(3,4)18(15)20)17-21-14(19)12-8-6-5-7-9-12/h5-9,20H,10-11H2,1-4H3
InChIKeyGOAHXSWMTGPHHY-UHFFFAOYSA-N
XLogP3.24
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
The IUPAC name of [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate (CID 867145) is [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate.
What is the SMILES notation for [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
The canonical SMILES for [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate is CC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1O.
What is the InChIKey of [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
The InChIKey is GOAHXSWMTGPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(2)10-13(11-16(3,4)18(15)20)17-21-14(19)12-8-6-5-7-9-12/h5-9,20H,10-11H2,1-4H3.
What are the key properties of [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate has a molecular weight of 290.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate is sourced from PubChem (CID 867145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).