CAS 12443-68-1|CAS 124443-68-1|1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate|1-(tert-Butyl) 4-methyl piperidine-1,4-dicarboxylate|1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate|Methyl piper...

General Information

Structure

Molecular Formula

C₁₂H₂₁NO₄

Molecular Mass

243.29944

Exact Mass

243.14705816

Charge

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3

InChIKey

PTZNCCIULVXFIJ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3093193

LogD (pH = 7.4)

1.3093193

Log P

1.3093193

Molar Refractivity

62.8395

Polarizability

24.824814

Polar Surface Area

55.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate

IUPAC name

1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Synonyms

Methyl piperidine-4-carboxylate, N-BOC protected1-(tert-Butyl) 4-methyl piperidine-1,4-dicarboxylate1-(tert-Butyl) 4-methyl tetrahydro-1,4(2H)-pyridinedicarboxylate1-N-Boc-4-piperidinecarboxylic acid methyl esterN-BOC-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate

Names and Identifiers

Registration numbers

CAS Number

12443-68-1124443-68-1

MDL Number

MFCD02183584

PubChem CID

392870

PubChem SID

160998247

Registration numbers