(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate

C11H18N2O2 — CID 87076911

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
SMILESCC1(C)CC(OC(=O)C#N)CC(C)(C)N1
InChIInChI=1S/C11H18N2O2/c1-10(2)5-8(15-9(14)7-12)6-11(3,4)13-10/h8,13H,5-6H2,1-4H3
InChIKeyMJRCYFVNXFKEOG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds1

About (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate

(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate (PubChem CID 87076911) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
PubChem CID87076911
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
SMILESCC1(C)CC(OC(=O)C#N)CC(C)(C)N1
InChIInChI=1S/C11H18N2O2/c1-10(2)5-8(15-9(14)7-12)6-11(3,4)13-10/h8,13H,5-6H2,1-4H3
InChIKeyMJRCYFVNXFKEOG-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
CID 163508092
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
CID 67107833
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
CID 21330422
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2-dicarboxylate
CID 70594525
(2,2,6,6-tetramethylpiperidin-4-yl) 4-(1,2,2-tricyanoethenylamino)benzoate
CID 168610779
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate
CID 23338206
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate
CID 168524256

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate (CID 87076911) is (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate is CC1(C)CC(OC(=O)C#N)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate?
The InChIKey is MJRCYFVNXFKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10(2)5-8(15-9(14)7-12)6-11(3,4)13-10/h8,13H,5-6H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate?
(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate has a molecular weight of 210.28 g/mol, XLogP of 1.36, 1 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-yl) cyanoformate is sourced from PubChem (CID 87076911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).