1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one

C10H18INO2 — CID 167278435

IUPAC1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one
SMILESCC(C)(I)CC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H18INO2/c1-10(2,11)7-9(14)12-5-3-8(13)4-6-12/h8,13H,3-7H2,1-2H3
InChIKeyGLGLAXAXHXYPCL-UHFFFAOYSA-N
MW311.16 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one

1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one (PubChem CID 167278435) has the molecular formula C10H18INO2 and a molecular weight of 311.16 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one
PubChem CID167278435
Molecular FormulaC10H18INO2
Molecular Weight311.16 g/mol
Exact Mass311.04
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one
SMILESCC(C)(I)CC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H18INO2/c1-10(2,11)7-9(14)12-5-3-8(13)4-6-12/h8,13H,3-7H2,1-2H3
InChIKeyGLGLAXAXHXYPCL-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
CID 43437398
3-ethyl-1-(4-hydroxyazepan-1-yl)-3-methylpentan-1-one
CID 166782894
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one (CID 167278435) is 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one is CC(C)(I)CC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one?
The InChIKey is GLGLAXAXHXYPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO2/c1-10(2,11)7-9(14)12-5-3-8(13)4-6-12/h8,13H,3-7H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one?
1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one has a molecular weight of 311.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-3-iodo-3-methylbutan-1-one is sourced from PubChem (CID 167278435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).