(1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate

C11H20N2O — CID 59745286

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate
SMILESCN1C(C)(C)CC(OC#N)CC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)6-9(14-8-12)7-11(3,4)13(10)5/h9H,6-7H2,1-5H3
InChIKeyRWXNBNLVTFYAOR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.14
Rot. Bonds1

About (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate

(1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate (PubChem CID 59745286) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate
PubChem CID59745286
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate
SMILESCN1C(C)(C)CC(OC#N)CC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)6-9(14-8-12)7-11(3,4)13(10)5/h9H,6-7H2,1-5H3
InChIKeyRWXNBNLVTFYAOR-UHFFFAOYSA-N
XLogP2.14
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate (CID 59745286) is (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate is CN1C(C)(C)CC(OC#N)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate?
The InChIKey is RWXNBNLVTFYAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)6-9(14-8-12)7-11(3,4)13(10)5/h9H,6-7H2,1-5H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate has a molecular weight of 196.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) cyanate is sourced from PubChem (CID 59745286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).