(2,2,6,6-tetramethylpiperidin-1-yl) nitrite

C9H18N2O2 — CID 11665524

IUPAC(2,2,6,6-tetramethylpiperidin-1-yl) nitrite
SMILESCC1(C)CCCC(C)(C)N1ON=O
InChIInChI=1S/C9H18N2O2/c1-8(2)6-5-7-9(3,4)11(8)13-10-12/h5-7H2,1-4H3
InChIKeyKIBYDUHQEJKMEP-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.64
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-1-yl) nitrite

(2,2,6,6-tetramethylpiperidin-1-yl) nitrite (PubChem CID 11665524) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-1-yl) nitrite.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-1-yl) nitrite
PubChem CID11665524
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2,2,6,6-tetramethylpiperidin-1-yl) nitrite
SMILESCC1(C)CCCC(C)(C)N1ON=O
InChIInChI=1S/C9H18N2O2/c1-8(2)6-5-7-9(3,4)11(8)13-10-12/h5-7H2,1-4H3
InChIKeyKIBYDUHQEJKMEP-UHFFFAOYSA-N
XLogP2.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-1-yl) nitrite?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) nitrite (CID 11665524) is (2,2,6,6-tetramethylpiperidin-1-yl) nitrite.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-1-yl) nitrite?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-1-yl) nitrite is CC1(C)CCCC(C)(C)N1ON=O.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-1-yl) nitrite?
The InChIKey is KIBYDUHQEJKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)6-5-7-9(3,4)11(8)13-10-12/h5-7H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-1-yl) nitrite?
(2,2,6,6-tetramethylpiperidin-1-yl) nitrite has a molecular weight of 186.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-1-yl) nitrite is sourced from PubChem (CID 11665524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).