1-methylpiperidin-1-ium-4-one

C6H12NO+ — CID 3848252

IUPAC1-methylpiperidin-1-ium-4-one
SMILESC[NH+]1CCC(=O)CC1
InChIInChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3/p+1
InChIKeyHUUPVABNAQUEJW-UHFFFAOYSA-O
MW114.17 g/mol
LogP-1.14
Rot. Bonds

About 1-methylpiperidin-1-ium-4-one

1-methylpiperidin-1-ium-4-one (PubChem CID 3848252) has the molecular formula C6H12NO+ and a molecular weight of 114.17 g/mol. Its IUPAC name is 1-methylpiperidin-1-ium-4-one.

Molecular Properties

Compound Name1-methylpiperidin-1-ium-4-one
PubChem CID3848252
Molecular FormulaC6H12NO+
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name1-methylpiperidin-1-ium-4-one
SMILESC[NH+]1CCC(=O)CC1
InChIInChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3/p+1
InChIKeyHUUPVABNAQUEJW-UHFFFAOYSA-O
XLogP-1.14
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Piperidone
CID 33721
Piperonylamine
CID 2723901
1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
4-Piperidone hydrochloride
CID 3084851
1,1-Dimethyl-4-oxopiperidin-1-ium iodide
CID 11149497
1-Propyl-4-piperidone
CID 90006
2,6-Dimethylpiperidin-4-one
CID 11040712
3-Methylpiperidin-4-one
CID 12284277
3-Methyl-piperidin-4-one hydrochloride
CID 22728864
1,1-Dimethyl-4-oxopiperidinium iodide
CID 422966
4-Piperidone (hydrochloride)
CID 11789260

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-1-ium-4-one?
The IUPAC name of 1-methylpiperidin-1-ium-4-one (CID 3848252) is 1-methylpiperidin-1-ium-4-one.
What is the SMILES notation for 1-methylpiperidin-1-ium-4-one?
The canonical SMILES for 1-methylpiperidin-1-ium-4-one is C[NH+]1CCC(=O)CC1.
What is the InChIKey of 1-methylpiperidin-1-ium-4-one?
The InChIKey is HUUPVABNAQUEJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3/p+1.
What are the key properties of 1-methylpiperidin-1-ium-4-one?
1-methylpiperidin-1-ium-4-one has a molecular weight of 114.17 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-1-ium-4-one is sourced from PubChem (CID 3848252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).