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

C16H22N2O2 — CID 547409

IUPAC[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate
SMILESCC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C16H22N2O2/c1-15(2)10-13(11-16(3,4)18-15)17-20-14(19)12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3
InChIKeySVBMAHMMDMHKGK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.14
Rot. Bonds2

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

[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate (PubChem CID 547409) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate.

Molecular Properties

Compound Name[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate
PubChem CID547409
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate
SMILESCC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C16H22N2O2/c1-15(2)10-13(11-16(3,4)18-15)17-20-14(19)12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3
InChIKeySVBMAHMMDMHKGK-UHFFFAOYSA-N
XLogP3.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
The IUPAC name of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate (CID 547409) is [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate.
What is the SMILES notation for [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
The canonical SMILES for [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate is CC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1.
What is the InChIKey of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
The InChIKey is SVBMAHMMDMHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2)10-13(11-16(3,4)18-15)17-20-14(19)12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3.
What are the key properties of [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate?
[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate has a molecular weight of 274.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] benzoate is sourced from PubChem (CID 547409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).