2,2,6-trimethyl-1-nitrosopiperidine

C8H16N2O — CID 154166469

IUPAC2,2,6-trimethyl-1-nitrosopiperidine
SMILESCC1CCCC(C)(C)N1N=O
InChIInChI=1S/C8H16N2O/c1-7-5-4-6-8(2,3)10(7)9-11/h7H,4-6H2,1-3H3
InChIKeyXURVRIOXAKCOIM-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.32
Rot. Bonds1

About 2,2,6-trimethyl-1-nitrosopiperidine

2,2,6-trimethyl-1-nitrosopiperidine (PubChem CID 154166469) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,2,6-trimethyl-1-nitrosopiperidine.

Molecular Properties

Compound Name2,2,6-trimethyl-1-nitrosopiperidine
PubChem CID154166469
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2,2,6-trimethyl-1-nitrosopiperidine
SMILESCC1CCCC(C)(C)N1N=O
InChIInChI=1S/C8H16N2O/c1-7-5-4-6-8(2,3)10(7)9-11/h7H,4-6H2,1-3H3
InChIKeyXURVRIOXAKCOIM-UHFFFAOYSA-N
XLogP2.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-1-nitrosopiperidine?
The IUPAC name of 2,2,6-trimethyl-1-nitrosopiperidine (CID 154166469) is 2,2,6-trimethyl-1-nitrosopiperidine.
What is the SMILES notation for 2,2,6-trimethyl-1-nitrosopiperidine?
The canonical SMILES for 2,2,6-trimethyl-1-nitrosopiperidine is CC1CCCC(C)(C)N1N=O.
What is the InChIKey of 2,2,6-trimethyl-1-nitrosopiperidine?
The InChIKey is XURVRIOXAKCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-5-4-6-8(2,3)10(7)9-11/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-1-nitrosopiperidine?
2,2,6-trimethyl-1-nitrosopiperidine has a molecular weight of 156.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-1-nitrosopiperidine is sourced from PubChem (CID 154166469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).