1-methyl-2-(2-nitrosoethyl)piperidine

C8H16N2O — CID 89049405

IUPAC1-methyl-2-(2-nitrosoethyl)piperidine
SMILESCN1CCCCC1CCN=O
InChIInChI=1S/C8H16N2O/c1-10-7-3-2-4-8(10)5-6-9-11/h8H,2-7H2,1H3
InChIKeyCXAJSLBBJYYQCL-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.63
Rot. Bonds3

About 1-methyl-2-(2-nitrosoethyl)piperidine

1-methyl-2-(2-nitrosoethyl)piperidine (PubChem CID 89049405) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-2-(2-nitrosoethyl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(2-nitrosoethyl)piperidine
PubChem CID89049405
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-2-(2-nitrosoethyl)piperidine
SMILESCN1CCCCC1CCN=O
InChIInChI=1S/C8H16N2O/c1-10-7-3-2-4-8(10)5-6-9-11/h8H,2-7H2,1H3
InChIKeyCXAJSLBBJYYQCL-UHFFFAOYSA-N
XLogP1.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-nitrosoethyl)piperidine?
The IUPAC name of 1-methyl-2-(2-nitrosoethyl)piperidine (CID 89049405) is 1-methyl-2-(2-nitrosoethyl)piperidine.
What is the SMILES notation for 1-methyl-2-(2-nitrosoethyl)piperidine?
The canonical SMILES for 1-methyl-2-(2-nitrosoethyl)piperidine is CN1CCCCC1CCN=O.
What is the InChIKey of 1-methyl-2-(2-nitrosoethyl)piperidine?
The InChIKey is CXAJSLBBJYYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-7-3-2-4-8(10)5-6-9-11/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-2-(2-nitrosoethyl)piperidine?
1-methyl-2-(2-nitrosoethyl)piperidine has a molecular weight of 156.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-nitrosoethyl)piperidine is sourced from PubChem (CID 89049405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).