CAS 301673-16-5|tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate|1-Boc-(3-Hydroxymethyl)piperazine|tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate|1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)p...

General Information

Structure

Molecular Formula

C₁₀H₂₀N₂O₃

Molecular Mass

216.2774

Exact Mass

216.14739251

Charge

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3

InChIKey

NSILYQWHARROMG-UHFFFAOYSA-N

Canonic Smiles

OCC1NCCN(C1)C(=O)OC(C)(C)C

Isomeric Smiles

N1(CC(NCC1)CO)C(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

15.078465

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8545258

LogD (pH = 7.4)

-0.32372928

Log P

-0.075948715

Molar Refractivity

56.4064

Polarizability

22.50289

Polar Surface Area

61.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate

IUPAC Traditional name

tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate

Synonyms

1-Boc-(3-Hydroxymethyl)piperazine1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)piperazine3-(Hydroxymethyl)piperazine, N1-BOC protectedtert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylatetert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers