1-(nitrosomethyl)piperidine

C6H12N2O — CID 58250821

IUPAC1-(nitrosomethyl)piperidine
SMILESO=NCN1CCCCC1
InChIInChI=1S/C6H12N2O/c9-7-6-8-4-2-1-3-5-8/h1-6H2
InChIKeyOJAKDRBDAYFFGF-UHFFFAOYSA-N
MW128.18 g/mol
LogP1.20
Rot. Bonds2

About 1-(nitrosomethyl)piperidine

1-(nitrosomethyl)piperidine (PubChem CID 58250821) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-(nitrosomethyl)piperidine.

Molecular Properties

Compound Name1-(nitrosomethyl)piperidine
PubChem CID58250821
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name1-(nitrosomethyl)piperidine
SMILESO=NCN1CCCCC1
InChIInChI=1S/C6H12N2O/c9-7-6-8-4-2-1-3-5-8/h1-6H2
InChIKeyOJAKDRBDAYFFGF-UHFFFAOYSA-N
XLogP1.20
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(nitrosomethyl)piperidine?
The IUPAC name of 1-(nitrosomethyl)piperidine (CID 58250821) is 1-(nitrosomethyl)piperidine.
What is the SMILES notation for 1-(nitrosomethyl)piperidine?
The canonical SMILES for 1-(nitrosomethyl)piperidine is O=NCN1CCCCC1.
What is the InChIKey of 1-(nitrosomethyl)piperidine?
The InChIKey is OJAKDRBDAYFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-7-6-8-4-2-1-3-5-8/h1-6H2.
What are the key properties of 1-(nitrosomethyl)piperidine?
1-(nitrosomethyl)piperidine has a molecular weight of 128.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nitrosomethyl)piperidine is sourced from PubChem (CID 58250821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).