2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile

C22H36N4 — CID 152743888

IUPAC2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile
SMILESCC1(C)CC(=C2CC(C)(C)N(CC#N)C(C)(C)C2)CC(C)(C)N1CC#N
InChIInChI=1S/C22H36N4/c1-19(2)13-17(14-20(3,4)25(19)11-9-23)18-15-21(5,6)26(12-10-24)22(7,8)16-18/h11-16H2,1-8H3
InChIKeyMUQPDDNYRHBZLF-UHFFFAOYSA-N
MW356.56 g/mol
LogP4.64
Rot. Bonds2

About 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile

2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile (PubChem CID 152743888) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile
PubChem CID152743888
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile
SMILESCC1(C)CC(=C2CC(C)(C)N(CC#N)C(C)(C)C2)CC(C)(C)N1CC#N
InChIInChI=1S/C22H36N4/c1-19(2)13-17(14-20(3,4)25(19)11-9-23)18-15-21(5,6)26(12-10-24)22(7,8)16-18/h11-16H2,1-8H3
InChIKeyMUQPDDNYRHBZLF-UHFFFAOYSA-N
XLogP4.64
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-Tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine
CID 21401017
1-Butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
CID 21401018
1-Butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine
CID 21401044
1-Butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine
CID 21401046
1-Ethyl-4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
CID 21401056
4-(2,6-Diethyl-1,2,3,6-tetramethylpiperidin-4-ylidene)-2,6-diethyl-1,2,3,6-tetramethylpiperidine
CID 53920761
1-But-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
CID 54009064
1,2,2,6,6-Pentamethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine
CID 152743668
2,2,6,6-Tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine
CID 152751855
2,2,6,6-Tetramethyl-1-prop-2-enyl-4-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-ylidene)piperidine
CID 21401037

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile (CID 152743888) is 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile is CC1(C)CC(=C2CC(C)(C)N(CC#N)C(C)(C)C2)CC(C)(C)N1CC#N.
What is the InChIKey of 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile?
The InChIKey is MUQPDDNYRHBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4/c1-19(2)13-17(14-20(3,4)25(19)11-9-23)18-15-21(5,6)26(12-10-24)22(7,8)16-18/h11-16H2,1-8H3.
What are the key properties of 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile?
2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile has a molecular weight of 356.56 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyanomethyl)-2,2,6,6-tetramethylpiperidin-4-ylidene]-2,2,6,6-tetramethylpiperidin-1-yl]acetonitrile is sourced from PubChem (CID 152743888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).