1-Piperazinecarboxylic acid, 4-(2-(tert-butylcarboxyamino)ethyl)-, diisopropyl ester, hydrochloride

HCID 212432

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Basic information

CAS: 24269-70-3
Standard SMILES: CC(C)OC(=O)N1CCN(CCN(C(=O)OC(C)C)C(C)(C)C)CC1.Cl
InChIKey: XNUUQEJYKIRVQD-UHFFFAOYSA-N
Molecular formula: C18H36ClN3O4
Average molar mass: 393.9 g/mol
Monoisotopic mass: 393.2394343

Names & identifiers

Preferred name: 1-Piperazinecarboxylic acid, 4-(2-(tert-butylcarboxyamino)ethyl)-, diisopropyl ester, hydrochloride
IUPAC: propan-2-yl 4-[2-[tert-butyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride

Names & synonyms

1-Piperazinecarboxylic acid, 4-(2-(tert-butylcarboxyamino)ethyl)-, diisopropyl ester, hydrochloride24269-70-3DTXSID60178991RefChem:233627DTXCID20101482Propan-2-yl 4-[2-(tert-butyl{[(propan-2-yl)oxy]carbonyl}amino)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 24269-70-3
PubChem CID: 212432
DTXSID: DTXSID60178991

Properties

Computed structural properties

Topological polar surface area: 62.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 438

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