2-{[1-tert-Butoxycarbonyl)piperidin-4-yl]amino}-4-methylaniline|tert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate|tert-Butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxyl...

General Information

Structure

Molecular Formula

C₁₇H₂₇N₃O₂

Molecular Mass

305.41518

Exact Mass

305.21032712

Charge

InChI

InChI=1S/C17H27N3O2/c1-12-5-6-14(18)15(11-12)19-13-7-9-20(10-8-13)16(21)22-17(2,3)4/h5-6,11,13,19H,7-10,18H2,1-4H3

InChIKey

XCYREHXTZGVYLL-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(c1)NC1CCN(CC1)C(=O)OC(C)(C)C)N

Isomeric Smiles

C(=O)(N1CCC(Nc2cc(ccc2N)C)CC1)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9259971

LogD (pH = 7.4)

2.055541

Log P

2.0574706

Molar Refractivity

91.1449

Polarizability

33.960453

Polar Surface Area

67.59

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-{[1-tert-Butoxycarbonyl)piperidin-4-yl]amino}-4-methylanilinetert-Butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate4-[(2-Amino-5-methylphenyl)amino]piperidine, N1-BOC protected 95+%tert-Butyl 4-[(2-amino-5-methylphenyl)amino]-piperidine-1-carboxylatetert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD17167310

PubChem SID

162058226

PubChem CID

51000246