[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate

C11H20INO2 — CID 174751295

IUPAC[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CI)CC1
InChIInChI=1S/C11H20INO2/c1-11(2,3)10(14)15-13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKeyFDXSPIAOXPUJDI-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.64
Rot. Bonds2

About [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174751295) has the molecular formula C11H20INO2 and a molecular weight of 325.19 g/mol. Its IUPAC name is [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174751295
Molecular FormulaC11H20INO2
Molecular Weight325.19 g/mol
Exact Mass325.05
IUPAC Name[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CI)CC1
InChIInChI=1S/C11H20INO2/c1-11(2,3)10(14)15-13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKeyFDXSPIAOXPUJDI-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174835809
[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784804
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-(naphthalen-1-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174776993
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174503474
(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
CID 150222079
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806

Frequently Asked Questions

What is the IUPAC name of [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174751295) is [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(CI)CC1.
What is the InChIKey of [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is FDXSPIAOXPUJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20INO2/c1-11(2,3)10(14)15-13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3.
What are the key properties of [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 325.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174751295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).