tert-Butyl 4-[2-(hydrazinocarbonyl)-4-nitrophenyl]piperazine-1-carboxylate|4-[2-(Hydrazinocarbonyl)-4-nitrophenyl]piperazine, N1-BOC protected 95+%|tert-butyl 4-[2-(hydrazinecarbonyl)-4-nitrophenyl]...

General Information

Structure

Molecular Formula

C₁₆H₂₃N₅O₅

Molecular Mass

365.38432

Exact Mass

365.16991886

Charge

InChI

InChI=1S/C16H23N5O5/c1-16(2,3)26-15(23)20-8-6-19(7-9-20)13-5-4-11(21(24)25)10-12(13)14(22)18-17/h4-5,10H,6-9,17H2,1-3H3,(H,18,22)

InChIKey

MDKRYIYFFOVADO-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)c1cc(ccc1N1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric Smiles

c1(c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc([N+](=O)[O-])c1)C(=O)NN

Calculated Properties

JChem

Acid pKa

13.605665

H Acceptors

H Donor

LogD (pH = 5.5)

1.3218973

LogD (pH = 7.4)

1.3226928

Log P

1.3227031

Molar Refractivity

97.1243

Polarizability

35.466953

Polar Surface Area

133.72

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-Butyl 4-[2-(hydrazinocarbonyl)-4-nitrophenyl]piperazine-1-carboxylate4-[2-(Hydrazinocarbonyl)-4-nitrophenyl]piperazine, N1-BOC protected 95+%2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-5-nitrobenzoic acid hydrazide2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-5-nitrobenzohydrazidetert-Butyl 4-[2-(hydrazinecarbonyl)-4-nitrophenyl]piperazine-1-carboxylate

IUPAC name

tert-butyl 4-[2-(hydrazinecarbonyl)-4-nitrophenyl]piperazine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-[2-(hydrazinecarbonyl)-4-nitrophenyl]piperazine-1-carboxylate

Names and Identifiers

Registration numbers

PubChem SID

162056686

MDL Number

MFCD16890132

PubChem CID

49757488