CAS 154590-35-9|CAS 1000053-23-5|tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate|tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate|tert-Butyl 4-(4-amino-2-fluorophenyl)tetr...

General Information

Structure

Molecular Formula

C₁₅H₂₂FN₃O₂

Molecular Mass

295.3524832

Exact Mass

295.16960518

Charge

InChI

InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3

InChIKey

IULXQAJBODFBAK-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCN(c2c(cc(cc2)N)F)CC1)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.069084

LogD (pH = 7.4)

2.141326

Log P

2.1423304

Molar Refractivity

81.1539

Polarizability

30.0564

Polar Surface Area

58.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate

Synonyms

tert-Butyl 4-(4-amino-2-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxylate4-(4-Amino-2-fluorophenyl)piperazine, N1-BOC protectedtert-Butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate4-(4-Boc-piperazin-1-yl)-3-fluoroanilinetert-Butyl 4-(4-aMino-2-fluorophenyl)piperazine-1-carboxylate

Names and Identifiers

Registration numbers

PubChem CID

16203630

CAS Number

154590-35-91000053-23-5

MDL Number

MFCD08443960

PubChem SID

162047593

Registration numbers