1-(tert-Butoxycarbonyl)-4-[(2-fluoro-5-methoxybenzyl)amino]piperidine|tert-butyl 4-{[(2-fluoro-5-methoxyphenyl)methyl]amino}piperidine-1-carboxylate|tert-butyl 4-{[(2-fluoro-5-methoxyphenyl)methyl]a...

General Information

Structure

Molecular Formula

C₁₈H₂₇FN₂O₃

Molecular Mass

338.4169832

Exact Mass

338.20057095

Charge

InChI

InChI=1S/C18H27FN2O3/c1-18(2,3)24-17(22)21-9-7-14(8-10-21)20-12-13-11-15(23-4)5-6-16(13)19/h5-6,11,14,20H,7-10,12H2,1-4H3

InChIKey

MONHMOHLJYPUEC-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)CNC1CCN(CC1)C(=O)OC(C)(C)C)F

Isomeric Smiles

N1(C(=O)OC(C)(C)C)CCC(CC1)NCc1c(ccc(c1)OC)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5735198

LogD (pH = 7.4)

0.928292

Log P

2.4435766

Molar Refractivity

91.1371

Polarizability

35.476826

Polar Surface Area

50.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

1-(tert-Butoxycarbonyl)-4-[(2-fluoro-5-methoxybenzyl)amino]piperidine4-[(2-Fluoro-5-methoxybenzyl)amino]piperidine, N1-BOC protected3-({[1-(tert-Butoxycarbonyl)piperidin-4-yl]amino}methyl)-4-fluoroanisoletert-Butyl 4-[(2-fluoro-5-methoxybenzyl)amino]piperidine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-{[(2-fluoro-5-methoxyphenyl)methyl]amino}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{[(2-fluoro-5-methoxyphenyl)methyl]amino}piperidine-1-carboxylate

Names and Identifiers

Registration numbers

PubChem CID

53256976

PubChem SID

162104999

Registration numbers

Properties