1,1-dimethylpiperidin-1-ium-4-one;hydroiodide

C7H15INO+ — CID 102565198

IUPAC1,1-dimethylpiperidin-1-ium-4-one;hydroiodide
SMILESC[N+]1(C)CCC(=O)CC1.I
InChIInChI=1S/C7H14NO.HI/c1-8(2)5-3-7(9)4-6-8;/h3-6H2,1-2H3;1H/q+1;
InChIKeyLMQPCACOOKKMHW-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.04
Rot. Bonds

About 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide

1,1-dimethylpiperidin-1-ium-4-one;hydroiodide (PubChem CID 102565198) has the molecular formula C7H15INO+ and a molecular weight of 256.11 g/mol. Its IUPAC name is 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide.

Molecular Properties

Compound Name1,1-dimethylpiperidin-1-ium-4-one;hydroiodide
PubChem CID102565198
Molecular FormulaC7H15INO+
Molecular Weight256.11 g/mol
Exact Mass256.02
IUPAC Name1,1-dimethylpiperidin-1-ium-4-one;hydroiodide
SMILESC[N+]1(C)CCC(=O)CC1.I
InChIInChI=1S/C7H14NO.HI/c1-8(2)5-3-7(9)4-6-8;/h3-6H2,1-2H3;1H/q+1;
InChIKeyLMQPCACOOKKMHW-UHFFFAOYSA-N
XLogP1.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,1,3-trimethylpiperidin-1-ium-4-one
CID 42587055
cyclopropanone;ethane
CID 90860291
1,1-dimethylaziridin-1-ium iodide
CID 88764737
1,1-dimethylpiperidin-1-ium-3-one chloride
CID 87567389
1-methyl-1-prop-2-enylpiperidin-1-ium-4-one bromide
CID 87618689
1-methyl-1-[[4-[(1-methyl-4-oxopiperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium-4-one dichloride
CID 88739178
1,1-bis(2-methylpropyl)piperidin-1-ium-4-one bromide
CID 87565755
cyclopropanone;ethene
CID 66872502
cyclopropanone;propan-2-one
CID 68522509
1-acetyl-1-methylazepan-1-ium-4-one acetate
CID 134893688
1-ethyl-1-(iodomethyl)piperidin-1-ium-4-one iodide
CID 87845898
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide?
The IUPAC name of 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide (CID 102565198) is 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide.
What is the SMILES notation for 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide?
The canonical SMILES for 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide is C[N+]1(C)CCC(=O)CC1.I.
What is the InChIKey of 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide?
The InChIKey is LMQPCACOOKKMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.HI/c1-8(2)5-3-7(9)4-6-8;/h3-6H2,1-2H3;1H/q+1;.
What are the key properties of 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide?
1,1-dimethylpiperidin-1-ium-4-one;hydroiodide has a molecular weight of 256.11 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpiperidin-1-ium-4-one;hydroiodide is sourced from PubChem (CID 102565198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).