1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride

C13H26Cl2N2O — CID 11694

IUPAC1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride
SMILESCC1CC(=O)C(C)([NH+]2CCCCC2)C[NH+]1C.[Cl-].[Cl-]
InChIInChI=1S/C13H24N2O.2ClH/c1-11-9-12(16)13(2,10-14(11)3)15-7-5-4-6-8-15;;/h11H,4-10H2,1-3H3;2*1H
InChIKeyILZVIJGDEWKPFN-UHFFFAOYSA-N
MW297.27 g/mol
LogP-7.30
Rot. Bonds1

About 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride

1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride (PubChem CID 11694) has the molecular formula C13H26Cl2N2O and a molecular weight of 297.27 g/mol. Its IUPAC name is 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride.

Molecular Properties

Compound Name1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride
PubChem CID11694
Molecular FormulaC13H26Cl2N2O
Molecular Weight297.27 g/mol
Exact Mass296.14
IUPAC Name1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride
SMILESCC1CC(=O)C(C)([NH+]2CCCCC2)C[NH+]1C.[Cl-].[Cl-]
InChIInChI=1S/C13H24N2O.2ClH/c1-11-9-12(16)13(2,10-14(11)3)15-7-5-4-6-8-15;;/h11H,4-10H2,1-3H3;2*1H
InChIKeyILZVIJGDEWKPFN-UHFFFAOYSA-N
XLogP-7.30
TPSA25.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-7.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3'-Bipiperidinium, 4'-oxo-1,1',1',3',6'-pentamethyl-, diiodide
CID 11681
4-Piperidone, 5-(diethylamino)-1,2,5-trimethyl-, dihydrochloride
CID 120746
1,1,2,5-Tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
CID 11682
1,2,5-Trimethyl-5-piperidin-1-ylpiperidin-4-one
CID 11695
2-Methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one
CID 20737874
2-methyl-1-[(2S)-1-propan-2-ylpiperazin-2-yl]propan-1-one
CID 60092312
(1-Methylpiperidin-4-yl)-piperazin-2-ylmethanone
CID 69133646
2-Piperazin-1-yl-1-piperidin-4-ylpropan-1-one
CID 70595709
2-Piperazin-1-yl-1-piperidin-4-ylbutan-1-one
CID 70597480
1-(2,5-Dimethylpiperidin-4-yl)-2-piperazin-1-ylethanone
CID 70598991
[1-(Methylamino)cyclopropyl]-piperazin-2-ylmethanone
CID 90724544
1-(4-Tert-butylpiperazin-2-yl)butan-1-one
CID 90741058

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride?
The IUPAC name of 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride (CID 11694) is 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride.
What is the SMILES notation for 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride?
The canonical SMILES for 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride is CC1CC(=O)C(C)([NH+]2CCCCC2)C[NH+]1C.[Cl-].[Cl-].
What is the InChIKey of 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride?
The InChIKey is ILZVIJGDEWKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.2ClH/c1-11-9-12(16)13(2,10-14(11)3)15-7-5-4-6-8-15;;/h11H,4-10H2,1-3H3;2*1H.
What are the key properties of 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride?
1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride has a molecular weight of 297.27 g/mol, XLogP of -7.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride is sourced from PubChem (CID 11694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).