1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide

C8H17INO2+ — CID 175590401

IUPAC1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide
SMILESC[N+]1(C)CCC(C(=O)O)CC1.I
InChIInChI=1S/C8H15NO2.HI/c1-9(2)5-3-7(4-6-9)8(10)11;/h7H,3-6H2,1-2H3;1H/p+1
InChIKeyMPWAQDWJTAYJAJ-UHFFFAOYSA-O
MW286.13 g/mol
LogP1.18
Rot. Bonds1

About 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide

1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide (PubChem CID 175590401) has the molecular formula C8H17INO2+ and a molecular weight of 286.13 g/mol. Its IUPAC name is 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide.

Molecular Properties

Compound Name1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide
PubChem CID175590401
Molecular FormulaC8H17INO2+
Molecular Weight286.13 g/mol
Exact Mass286.03
IUPAC Name1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide
SMILESC[N+]1(C)CCC(C(=O)O)CC1.I
InChIInChI=1S/C8H15NO2.HI/c1-9(2)5-3-7(4-6-9)8(10)11;/h7H,3-6H2,1-2H3;1H/p+1
InChIKeyMPWAQDWJTAYJAJ-UHFFFAOYSA-O
XLogP1.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
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

cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopentanecarboxylic acid
CID 18840
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
4-[tert-butyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165540
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexanecarboxylic acid
CID 11286469
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide?
The IUPAC name of 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide (CID 175590401) is 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide.
What is the SMILES notation for 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide?
The canonical SMILES for 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide is C[N+]1(C)CCC(C(=O)O)CC1.I.
What is the InChIKey of 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide?
The InChIKey is MPWAQDWJTAYJAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO2.HI/c1-9(2)5-3-7(4-6-9)8(10)11;/h7H,3-6H2,1-2H3;1H/p+1.
What are the key properties of 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide?
1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide has a molecular weight of 286.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide is sourced from PubChem (CID 175590401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).