1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one

C15H30N2O+2 — CID 11682

IUPAC1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
SMILESCC1CC(=O)C(C)([N+]2(C)CCCCC2)C[N+]1(C)C
InChIInChI=1S/C15H30N2O/c1-13-11-14(18)15(2,12-16(13,3)4)17(5)9-7-6-8-10-17/h13H,6-12H2,1-5H3/q+2
InChIKeyQSIWBFWQWCYEQE-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds1

About 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one

1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one (PubChem CID 11682) has the molecular formula C15H30N2O+2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one.

Molecular Properties

Compound Name1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
PubChem CID11682
Molecular FormulaC15H30N2O+2
Molecular Weight254.42 g/mol
Exact Mass254.23
IUPAC Name1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
SMILESCC1CC(=O)C(C)([N+]2(C)CCCCC2)C[N+]1(C)C
InChIInChI=1S/C15H30N2O/c1-13-11-14(18)15(2,12-16(13,3)4)17(5)9-7-6-8-10-17/h13H,6-12H2,1-5H3/q+2
InChIKeyQSIWBFWQWCYEQE-UHFFFAOYSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3'-Bipiperidinium, 4'-oxo-1,1',1',3',6'-pentamethyl-, diiodide
CID 11681
1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride
CID 11694
4-Piperidone, 5-(diethylamino)-1,2,5-trimethyl-, dihydrochloride
CID 120746
3,4-Dipiperidinobutan-2-one
CID 12060709
1-(4'-Methylpiperazinylacetyl)-2,5-dimethyl-4-piperidone
CID 129780338
1,2,5-Trimethyl-5-piperidin-1-ylpiperidin-4-one
CID 11695
5-(Diethylamino)-1,2,5-trimethylpiperidin-4-one
CID 120747
2-Methyl-1-(4-methyl-1-propan-2-ylpiperazin-2-yl)propan-1-one
CID 20659585
2-[(Dipropylamino)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 53686199
2-[(Dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 53795112
1-[2-(Dimethylamino)ethyl]-2,2,6,6-tetramethylpiperidin-4-one
CID 54003850
1-(4-Tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one
CID 58055826

Frequently Asked Questions

What is the IUPAC name of 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one?
The IUPAC name of 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one (CID 11682) is 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one.
What is the SMILES notation for 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one?
The canonical SMILES for 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one is CC1CC(=O)C(C)([N+]2(C)CCCCC2)C[N+]1(C)C.
What is the InChIKey of 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one?
The InChIKey is QSIWBFWQWCYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-11-14(18)15(2,12-16(13,3)4)17(5)9-7-6-8-10-17/h13H,6-12H2,1-5H3/q+2.
What are the key properties of 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one?
1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one has a molecular weight of 254.42 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one is sourced from PubChem (CID 11682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).