methane;piperidin-1-ium 1-oxide

C6H14NO+ — CID 67703236

IUPACmethane;piperidin-1-ium 1-oxide
SMILESC.O=[N+]1CCCCC1
InChIInChI=1S/C5H10NO.CH4/c7-6-4-2-1-3-5-6;/h1-5H2;1H4/q+1;
InChIKeyMIKMWVDUYBJSGK-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.59
Rot. Bonds

About methane;piperidin-1-ium 1-oxide

methane;piperidin-1-ium 1-oxide (PubChem CID 67703236) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is methane;piperidin-1-ium 1-oxide.

Molecular Properties

Compound Namemethane;piperidin-1-ium 1-oxide
PubChem CID67703236
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Namemethane;piperidin-1-ium 1-oxide
SMILESC.O=[N+]1CCCCC1
InChIInChI=1S/C5H10NO.CH4/c7-6-4-2-1-3-5-6;/h1-5H2;1H4/q+1;
InChIKeyMIKMWVDUYBJSGK-UHFFFAOYSA-N
XLogP1.59
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methane;piperidin-1-ium 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;piperidin-1-ium 1-oxide?
The IUPAC name of methane;piperidin-1-ium 1-oxide (CID 67703236) is methane;piperidin-1-ium 1-oxide.
What is the SMILES notation for methane;piperidin-1-ium 1-oxide?
The canonical SMILES for methane;piperidin-1-ium 1-oxide is C.O=[N+]1CCCCC1.
What is the InChIKey of methane;piperidin-1-ium 1-oxide?
The InChIKey is MIKMWVDUYBJSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO.CH4/c7-6-4-2-1-3-5-6;/h1-5H2;1H4/q+1;.
What are the key properties of methane;piperidin-1-ium 1-oxide?
methane;piperidin-1-ium 1-oxide has a molecular weight of 116.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;piperidin-1-ium 1-oxide is sourced from PubChem (CID 67703236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).