CAS 163765-44-4|CAS 147081-29-6|tert-butyl (3R)-3-methylpiperazine-1-carboxylate|(3S)-3-Methylpiperazine, N1-BOC protected|tert-butyl (3R)-3-methylpiperazine-1-carboxylate|(R)-1-Boc-3-Methylpiperazi...

General Information

Structure

Molecular Formula

C₁₀H₂₀N₂O₂

Molecular Mass

200.278

Exact Mass

200.15247789

Charge

InChI

InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1

InChIKey

FMLPQHJYUZTHQS-MRVPVSSYSA-N

Canonic Smiles

C[C@H]1NCCN(C1)C(=O)OC(C)(C)C

Isomeric Smiles

N1(C[C@H](NCC1)C)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.373739

LogD (pH = 7.4)

0.3512375

Log P

0.9709613

Molar Refractivity

54.8627

Polarizability

21.854008

Polar Surface Area

41.57

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(3S)-3-Methylpiperazine, N1-BOC protected(R)-1-Boc-3-Methylpiperazinetert-Butyl (R)-3-methyl-1-piperazinecarboxylate(R)-1-Boc-3-methylpiperazine(R)-1-Boc-3-甲基哌嗪(R)-3-甲基-哌嗪羧酸叔丁酯tert-butyl (3R)-3-methylpiperazine-1-carboxylate(R)-(+)-1-Boc-3-methylpiperazineR-(+)-1-Boc-3-甲基哌嗪

IUPAC name

tert-butyl (3R)-3-methylpiperazine-1-carboxylate

IUPAC Traditional name

tert-butyl (3R)-3-methylpiperazine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD02683205MFCD02683204

CAS Number

163765-44-4147081-29-6

PubChem CID

2756811