3-methyl-1-nitrosopiperidine

C6H12N2O — CID 26131

IUPAC3-methyl-1-nitrosopiperidine
SMILESCC1CCCN(N=O)C1
InChIInChI=1S/C6H12N2O/c1-6-3-2-4-8(5-6)7-9/h6H,2-5H2,1H3
InChIKeyADDORFBRRWECKX-UHFFFAOYSA-N
MW128.18 g/mol
LogP1.40
Rot. Bonds1

About 3-methyl-1-nitrosopiperidine

3-methyl-1-nitrosopiperidine (PubChem CID 26131) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-methyl-1-nitrosopiperidine.

Molecular Properties

Compound Name3-methyl-1-nitrosopiperidine
PubChem CID26131
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-methyl-1-nitrosopiperidine
SMILESCC1CCCN(N=O)C1
InChIInChI=1S/C6H12N2O/c1-6-3-2-4-8(5-6)7-9/h6H,2-5H2,1H3
InChIKeyADDORFBRRWECKX-UHFFFAOYSA-N
XLogP1.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
3-methylpiperidine-1-carboxylic acid
CID 22047728
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;3-methylpiperidine-1-carbonitrile
CID 144937261
3-methylpiperidine-1-carboxamide
CID 16786142
3-methylpiperidine-1-sulfinate
CID 59679552
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
CID 100938866
dimethoxy-methyl-(3-methylpiperidin-1-yl)silane
CID 139687429
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-nitrosopiperidine?
The IUPAC name of 3-methyl-1-nitrosopiperidine (CID 26131) is 3-methyl-1-nitrosopiperidine.
What is the SMILES notation for 3-methyl-1-nitrosopiperidine?
The canonical SMILES for 3-methyl-1-nitrosopiperidine is CC1CCCN(N=O)C1.
What is the InChIKey of 3-methyl-1-nitrosopiperidine?
The InChIKey is ADDORFBRRWECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6-3-2-4-8(5-6)7-9/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-1-nitrosopiperidine?
3-methyl-1-nitrosopiperidine has a molecular weight of 128.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nitrosopiperidine is sourced from PubChem (CID 26131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).