[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite

C12H22INO — CID 166077704

IUPAC[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite
SMILESCC1CCN(C2CC(OI)C2)CC1(C)C
InChIInChI=1S/C12H22INO/c1-9-4-5-14(8-12(9,2)3)10-6-11(7-10)15-13/h9-11H,4-8H2,1-3H3
InChIKeyKQIPDRIQTKRXDH-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.25
Rot. Bonds2

About [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite

[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite (PubChem CID 166077704) has the molecular formula C12H22INO and a molecular weight of 323.22 g/mol. Its IUPAC name is [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite.

Molecular Properties

Compound Name[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite
PubChem CID166077704
Molecular FormulaC12H22INO
Molecular Weight323.22 g/mol
Exact Mass323.07
IUPAC Name[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite
SMILESCC1CCN(C2CC(OI)C2)CC1(C)C
InChIInChI=1S/C12H22INO/c1-9-4-5-14(8-12(9,2)3)10-6-11(7-10)15-13/h9-11H,4-8H2,1-3H3
InChIKeyKQIPDRIQTKRXDH-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
CID 171846998
4-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
(4R)-1-(3-methoxycyclobutyl)-4-methylpiperidin-3-ol
CID 171846915
4-iodo-3,4,5-trimethyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 167226853
3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
CID 143483566
4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 161450829
(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium
CID 171847168
7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane
CID 166077502
(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 144948013
[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
CID 106823035
4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 159846616

Frequently Asked Questions

What is the IUPAC name of [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite?
The IUPAC name of [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite (CID 166077704) is [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite.
What is the SMILES notation for [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite?
The canonical SMILES for [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite is CC1CCN(C2CC(OI)C2)CC1(C)C.
What is the InChIKey of [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite?
The InChIKey is KQIPDRIQTKRXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22INO/c1-9-4-5-14(8-12(9,2)3)10-6-11(7-10)15-13/h9-11H,4-8H2,1-3H3.
What are the key properties of [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite?
[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite has a molecular weight of 323.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite is sourced from PubChem (CID 166077704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).