CAS 153747-97-8|tert-Butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate|tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate|tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate|5-Bro...

General Information

Structure

Molecular Formula

C₁₄H₂₀BrN₃O₂

Molecular Mass

342.2315

Exact Mass

341.0738889

Charge

InChI

InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-5-4-11(15)10-16-12/h4-5,10H,6-9H2,1-3H3

InChIKey

DSLVSFMWCDGZIL-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

N1(c2ncc(cc2)Br)CCN(CC1)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9208698

LogD (pH = 7.4)

2.9733768

Log P

2.974092

Molar Refractivity

82.0165

Polarizability

31.16498

Polar Surface Area

45.67

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

tert-Butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate5-Bromo-2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridine4-Boc-1-(5-bromo-2-pyridyl)piperazine4-Boc-1-(5-溴-2-吡啶基)哌嗪tert-Butyl 4-(5′-bromopyrid-2′-yl)piperazine-1-carboxylate4-(5′-溴吡啶-2′-基)哌嗪-1-羧酸叔丁酯2-(N-Boc-piperazin-1-yl)-5-bromopyridine2-(N-Boc-哌嗪-1-基)-5-溴吡啶2-(4-BOC-PIPERAZINO)-5-BROMOPYRIDINE

IUPAC Traditional name

tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate

IUPAC name

tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD07369772

CAS Number

153747-97-8

PubChem SID

24883989162078825