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

C10H20N2O2 — CID 155328530

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite
SMILESCN1C(C)(C)CC(ON=O)CC1(C)C
InChIInChI=1S/C10H20N2O2/c1-9(2)6-8(14-11-13)7-10(3,4)12(9)5/h8H,6-7H2,1-5H3
InChIKeyNBPKXUKMRAZJQM-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.34
Rot. Bonds2

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

(1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite (PubChem CID 155328530) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite
PubChem CID155328530
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite
SMILESCN1C(C)(C)CC(ON=O)CC1(C)C
InChIInChI=1S/C10H20N2O2/c1-9(2)6-8(14-11-13)7-10(3,4)12(9)5/h8H,6-7H2,1-5H3
InChIKeyNBPKXUKMRAZJQM-UHFFFAOYSA-N
XLogP2.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite (CID 155328530) is (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite is CN1C(C)(C)CC(ON=O)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite?
The InChIKey is NBPKXUKMRAZJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)6-8(14-11-13)7-10(3,4)12(9)5/h8H,6-7H2,1-5H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite?
(1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite has a molecular weight of 200.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) nitrite is sourced from PubChem (CID 155328530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).