Tert-butyl 4-[3-(aminomethyl)pyridin-2-yl]piperazine-1-carboxylate

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Basic information

CAS: 550371-80-7
Standard SMILES: CC(C)(C)OC(=O)N1CCN(c2ncccc2CN)CC1
InChIKey: KYXPZGHJWXMYQT-UHFFFAOYSA-N
Molecular formula: C15H24N4O2
Average molar mass: 292.38 g/mol
Monoisotopic mass: 292.18992602

Names & identifiers

Preferred name: Tert-butyl 4-[3-(aminomethyl)pyridin-2-yl]piperazine-1-carboxylate
IUPAC: tert-butyl 4-[3-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate

Names & synonyms

550371-80-7tert-butyl 4-[3-(aminomethyl)pyridin-2-yl]piperazine-1-carboxylatetert-Butyl 4-(3-(aminomethyl)pyridin-2-yl)piperazine-1-carboxylateMFCD18207667F2197-0067SCHEMBL5901303DTXSID30622158AKOS026720436CS-0362685tert-butyl 4-[3-(aminomethyl)-2-pyridyl]piperazine-1-carboxylatetert-Butyl4-(3-(aminomethyl)pyridin-2-yl)piperazine-1-carboxylate4-[3-(aminomethyl)pyridin-2-yl]piperazin-1-carboxylic acid tert-butyl ester

Database identifiers

CAS: 550371-80-7
PubChem CID: 22061367
DTXSID: DTXSID30622158

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 71.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 348

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Compound notes

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