1-methyl-1-(nitrosomethyl)piperidin-1-ium

C7H15N2O+ — CID 57208836

IUPAC1-methyl-1-(nitrosomethyl)piperidin-1-ium
SMILESC[N+]1(CN=O)CCCCC1
InChIInChI=1S/C7H15N2O/c1-9(7-8-10)5-3-2-4-6-9/h2-7H2,1H3/q+1
InChIKeyKUVCCHBJOSLMMF-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-1-(nitrosomethyl)piperidin-1-ium

1-methyl-1-(nitrosomethyl)piperidin-1-ium (PubChem CID 57208836) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-methyl-1-(nitrosomethyl)piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(nitrosomethyl)piperidin-1-ium
PubChem CID57208836
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name1-methyl-1-(nitrosomethyl)piperidin-1-ium
SMILESC[N+]1(CN=O)CCCCC1
InChIInChI=1S/C7H15N2O/c1-9(7-8-10)5-3-2-4-6-9/h2-7H2,1H3/q+1
InChIKeyKUVCCHBJOSLMMF-UHFFFAOYSA-N
XLogP1.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-nitrosopiperidine
CID 23619348
1-(Nitrosomethyl)piperidine
CID 58250821
Methane;piperidin-1-ium 1-oxide
CID 67703236
1-Methyl-2-nitropiperidine
CID 123214660
1-(Nitromethyl)piperidine
CID 130683218
(2S)-1-methyl-2-nitropiperidine
CID 148917186
1-Hydroxy-2-nitrosopiperidine
CID 23621071
2-Methyl-1-(nitromethyl)piperidine
CID 130727576

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(nitrosomethyl)piperidin-1-ium?
The IUPAC name of 1-methyl-1-(nitrosomethyl)piperidin-1-ium (CID 57208836) is 1-methyl-1-(nitrosomethyl)piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-(nitrosomethyl)piperidin-1-ium?
The canonical SMILES for 1-methyl-1-(nitrosomethyl)piperidin-1-ium is C[N+]1(CN=O)CCCCC1.
What is the InChIKey of 1-methyl-1-(nitrosomethyl)piperidin-1-ium?
The InChIKey is KUVCCHBJOSLMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-9(7-8-10)5-3-2-4-6-9/h2-7H2,1H3/q+1.
What are the key properties of 1-methyl-1-(nitrosomethyl)piperidin-1-ium?
1-methyl-1-(nitrosomethyl)piperidin-1-ium has a molecular weight of 143.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(nitrosomethyl)piperidin-1-ium is sourced from PubChem (CID 57208836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).