(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate

C23H33N5O — CID 166914042

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate
SMILES[H]/N=C(/C=C\C(=N\[H])c1ccc(C(=C/N)/C=N/[H])cc1C)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H33N5O/c1-15-10-16(17(13-24)14-25)6-7-19(15)20(26)8-9-21(27)29-18-11-22(2,3)28-23(4,5)12-18/h6-10,13-14,18,24,26-28H,11-12,25H2,1-5H3/b9-8-,17-14+,24-13+,26-20-,27-21-
InChIKeyMPYKYWPSNOAFPR-VLRPCSIPSA-N
MW395.55 g/mol
LogP4.17
Rot. Bonds6

About (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate

(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate (PubChem CID 166914042) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate
PubChem CID166914042
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate
SMILES[H]/N=C(/C=C\C(=N\[H])c1ccc(C(=C/N)/C=N/[H])cc1C)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H33N5O/c1-15-10-16(17(13-24)14-25)6-7-19(15)20(26)8-9-21(27)29-18-11-22(2,3)28-23(4,5)12-18/h6-10,13-14,18,24,26-28H,11-12,25H2,1-5H3/b9-8-,17-14+,24-13+,26-20-,27-21-
InChIKeyMPYKYWPSNOAFPR-VLRPCSIPSA-N
XLogP4.17
TPSA118.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate (CID 166914042) is (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate is [H]/N=C(/C=C\C(=N\[H])c1ccc(C(=C/N)/C=N/[H])cc1C)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate?
The InChIKey is MPYKYWPSNOAFPR-VLRPCSIPSA-N. The full InChI is InChI=1S/C23H33N5O/c1-15-10-16(17(13-24)14-25)6-7-19(15)20(26)8-9-21(27)29-18-11-22(2,3)28-23(4,5)12-18/h6-10,13-14,18,24,26-28H,11-12,25H2,1-5H3/b9-8-,17-14+,24-13+,26-20-,27-21-.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate?
(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate has a molecular weight of 395.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-iminobut-2-enimidate is sourced from PubChem (CID 166914042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).