1,1-Dimethylethyl 4-{[3'-(aminomethyl)-3-biphenylyl]methyl}-1-piperazinecarboxylate

HCID 57736713

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(CN)c3)c2)CC1
InChIKey: BEONZLVBAMLOPJ-UHFFFAOYSA-N
Molecular formula: C23H31N3O2
Average molar mass: 381.5 g/mol

Names & identifiers

Preferred name: 1,1-Dimethylethyl 4-{[3'-(aminomethyl)-3-biphenylyl]methyl}-1-piperazinecarboxylate
IUPAC: tert-butyl 4-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL1362969BEONZLVBAMLOPJ-UHFFFAOYSA-N1,1-dimethylethyl 4-{[3'-(aminomethyl)-3-biphenylyl]methyl}-1-piperazinecarboxylate

Database identifiers

PubChem CID: 57736713

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 58.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 497

Related reactions

9 records

New reaction record

HRID 564549As reactantuspto-grants-2011_11

HRID 564550As productuspto-grants-2011_11

HRID 564553As reactantuspto-grants-2011_11

HRID 657370As productuspto-grants-2011_12

HRID 662079As productuspto-grants-2011_12

HRID 1139630As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1535274As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1558682As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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