1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide

C21H26INO2 — CID 175104910

IUPAC1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide
SMILESCC1(N2CCCCC2)OCC(c2ccccc2)(c2ccccc2)O1.I
InChIInChI=1S/C21H25NO2.HI/c1-20(22-15-9-4-10-16-22)23-17-21(24-20,18-11-5-2-6-12-18)19-13-7-3-8-14-19;/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3;1H
InChIKeyHWPKAFGIZYRHDQ-UHFFFAOYSA-N
MW451.35 g/mol
LogP4.75
Rot. Bonds3

About 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide

1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide (PubChem CID 175104910) has the molecular formula C21H26INO2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide
PubChem CID175104910
Molecular FormulaC21H26INO2
Molecular Weight451.35 g/mol
Exact Mass451.10
IUPAC Name1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide
SMILESCC1(N2CCCCC2)OCC(c2ccccc2)(c2ccccc2)O1.I
InChIInChI=1S/C21H25NO2.HI/c1-20(22-15-9-4-10-16-22)23-17-21(24-20,18-11-5-2-6-12-18)19-13-7-3-8-14-19;/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3;1H
InChIKeyHWPKAFGIZYRHDQ-UHFFFAOYSA-N
XLogP4.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenyloxetan-3-yl)piperidine
CID 141379975
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-phenyl-2-piperidin-1-ylindene-1,3-dione
CID 2849345
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane
CID 11032543
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
1-(2,4,6-triphenylthiopyran-4-yl)piperidine
CID 71328944
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
1-[1-(3-phenyloxetan-3-yl)butyl]piperidine
CID 176959407
2-(2-chlorophenyl)-2-phenyloxolane
CID 23016058
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773
(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
CID 11644901

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide?
The IUPAC name of 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide (CID 175104910) is 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide.
What is the SMILES notation for 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide?
The canonical SMILES for 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide is CC1(N2CCCCC2)OCC(c2ccccc2)(c2ccccc2)O1.I.
What is the InChIKey of 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide?
The InChIKey is HWPKAFGIZYRHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.HI/c1-20(22-15-9-4-10-16-22)23-17-21(24-20,18-11-5-2-6-12-18)19-13-7-3-8-14-19;/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3;1H.
What are the key properties of 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide?
1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide has a molecular weight of 451.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide is sourced from PubChem (CID 175104910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).