CAS 674792-05-3|CAS 674792-06-4|(S)-1-Boc-2-isobutylpiperazine|tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate|(S)-1-Boc-2-异丁基哌嗪|tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carbox...

General Information

Structure

Molecular Formula

C₁₃H₂₆N₂O₂

Molecular Mass

242.35774

Exact Mass

242.19942808

Charge

InChI

InChI=1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1

InChIKey

WXGGVOBNOVOVAM-NSHDSACASA-N

Canonic Smiles

CC(C[C@H]1CNCCN1C(=O)OC(C)(C)C)C

Isomeric Smiles

N1(CCNC[C@@H]1CC(C)C)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.15178743

LogD (pH = 7.4)

1.5768701

Log P

2.2250714

Molar Refractivity

68.5363

Polarizability

27.371313

Polar Surface Area

41.57

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(S)-1-Boc-2-isobutylpiperazine(S)-1-Boc-2-异丁基哌嗪tert-Butyl (2S)-2-(2-methylprop-1-yl)piperazine-1-carboxylate(2S)-2-Isobutylpiperazine, N1-BOC protected(2S)-1-(tert-Butoxycarbonyl)-2-isobutylpiperazine(S)-tert-butyl 2-isobutylpiperazine-1-carboxylate

IUPAC Traditional name

tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate

IUPAC name

tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate

Names and Identifiers

Registration numbers

CAS Number

674792-05-3674792-06-4

PubChem SID

162042547

PubChem CID

17750437