4-[5-(Methoxycarbonyl)pyridin-2-yl]piperazine, N1-BOC protected|Methyl 6-[4-(tert-butoxycarbonyl)piperazin-1-yl]nicotinate|tert-Butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate|tert...

General Information

Structure

Molecular Formula

C₁₆H₂₃N₃O₄

Molecular Mass

321.37152

Exact Mass

321.16885623

Charge

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-9-7-18(8-10-19)13-6-5-12(11-17-13)14(20)22-4/h5-6,11H,7-10H2,1-4H3

InChIKey

OOYFXPCYPUANLG-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

n1c(ccc(c1)C(=O)OC)N1CCN(CC1)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1689694

LogD (pH = 7.4)

2.2082896

Log P

2.2088165

Molar Refractivity

86.419

Polarizability

32.790176

Polar Surface Area

71.97

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Methyl 6-[4-(tert-butoxycarbonyl)piperazin-1-yl]nicotinate4-[5-(Methoxycarbonyl)pyridin-2-yl]piperazine, N1-BOC protectedtert-Butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylatetert-butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

IUPAC name

tert-butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD19381738

PubChem CID

66545101

PubChem SID

162077504