1-methyl-3-nitrosopiperidine

C6H12N2O — CID 56612188

IUPAC1-methyl-3-nitrosopiperidine
SMILESCN1CCCC(N=O)C1
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-6(5-8)7-9/h6H,2-5H2,1H3
InChIKeyYUWJXNUHFOSTGR-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-3-nitrosopiperidine

1-methyl-3-nitrosopiperidine (PubChem CID 56612188) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-methyl-3-nitrosopiperidine.

Molecular Properties

Compound Name1-methyl-3-nitrosopiperidine
PubChem CID56612188
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name1-methyl-3-nitrosopiperidine
SMILESCN1CCCC(N=O)C1
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-6(5-8)7-9/h6H,2-5H2,1H3
InChIKeyYUWJXNUHFOSTGR-UHFFFAOYSA-N
XLogP0.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nitrosopiperidine?
The IUPAC name of 1-methyl-3-nitrosopiperidine (CID 56612188) is 1-methyl-3-nitrosopiperidine.
What is the SMILES notation for 1-methyl-3-nitrosopiperidine?
The canonical SMILES for 1-methyl-3-nitrosopiperidine is CN1CCCC(N=O)C1.
What is the InChIKey of 1-methyl-3-nitrosopiperidine?
The InChIKey is YUWJXNUHFOSTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-4-2-3-6(5-8)7-9/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-3-nitrosopiperidine?
1-methyl-3-nitrosopiperidine has a molecular weight of 128.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nitrosopiperidine is sourced from PubChem (CID 56612188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).