N-methylpiperidin-2-amine oxide

C6H14N2O — CID 139687511

IUPACN-methylpiperidin-2-amine oxide
SMILESC[NH+]([O-])C1CCCCN1
InChIInChI=1S/C6H14N2O/c1-8(9)6-4-2-3-5-7-6/h6-8H,2-5H2,1H3
InChIKeyMIFLOXJMYSMSPM-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.90
Rot. Bonds1

About N-methylpiperidin-2-amine oxide

N-methylpiperidin-2-amine oxide (PubChem CID 139687511) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-methylpiperidin-2-amine oxide.

Molecular Properties

Compound NameN-methylpiperidin-2-amine oxide
PubChem CID139687511
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-methylpiperidin-2-amine oxide
SMILESC[NH+]([O-])C1CCCCN1
InChIInChI=1S/C6H14N2O/c1-8(9)6-4-2-3-5-7-6/h6-8H,2-5H2,1H3
InChIKeyMIFLOXJMYSMSPM-UHFFFAOYSA-N
XLogP-0.90
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylpiperidin-2-amine oxide?
The IUPAC name of N-methylpiperidin-2-amine oxide (CID 139687511) is N-methylpiperidin-2-amine oxide.
What is the SMILES notation for N-methylpiperidin-2-amine oxide?
The canonical SMILES for N-methylpiperidin-2-amine oxide is C[NH+]([O-])C1CCCCN1.
What is the InChIKey of N-methylpiperidin-2-amine oxide?
The InChIKey is MIFLOXJMYSMSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8(9)6-4-2-3-5-7-6/h6-8H,2-5H2,1H3.
What are the key properties of N-methylpiperidin-2-amine oxide?
N-methylpiperidin-2-amine oxide has a molecular weight of 130.19 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpiperidin-2-amine oxide is sourced from PubChem (CID 139687511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).