Tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate

HCID 67112018

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCC(c2nc(I)cn2CCN2CCCC2)CC1
InChIKey: JOEWTJZCALABGI-UHFFFAOYSA-N
Molecular formula: C19H31IN4O2
Average molar mass: 474.4 g/mol
Monoisotopic mass: 474.14917

Names & identifiers

Preferred name: Tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate
IUPAC: tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate

Names & synonyms

tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylateSCHEMBL1662370JOEWTJZCALABGI-UHFFFAOYSA-N1295521-62-8DB-222138tert-butyl 4-(4-iodo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate

Database identifiers

PubChem CID: 67112018

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 471

Related reactions

8 records

New reaction record

HRID 682478As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 833903As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1548847As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2088919As productuspto-grants-2013_05

HRID 2088921As reactantuspto-grants-2013_05

HRID 2088936As productuspto-grants-2013_05

HRID 2088937As reactantuspto-grants-2013_05

HRID 2347773As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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