CAS 77279-24-4|CAS 867359-85-1|tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate|tert-Butyl-4-(2-hydroxyethyl)piperazine-1-carboxylate|tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate|4-(2-...

General Information

Structure

Molecular Formula

C₁₁H₂₂N₂O₃

Molecular Mass

230.30398

Exact Mass

230.16304257

Charge

InChI

InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3

InChIKey

VRXIOAYUQIITBU-UHFFFAOYSA-N

Canonic Smiles

OCCN1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCN(CC1)CCO)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

15.593097

H Acceptors

H Donor

LogD (pH = 5.5)

-0.9911506

LogD (pH = 7.4)

0.16581456

Log P

0.24733216

Molar Refractivity

62.0309

Polarizability

24.335554

Polar Surface Area

53.01

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Synonyms

tert-Butyl-4-(2-hydroxyethyl)piperazine-1-carboxylate4-(2-Hydroxyethyl)piperazine, N1-BOC protectedtert-Butyl 4-(2-hydroxyethyl)tetrahydro-1(2H)-pyrazinecarboxylatetert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate叔丁基-4-(2-羟乙基)哌嗪-1-羧酸酯1-Boc-4-(2-hydroxyethyl)piperazine1-Boc-4-(2-hydroxyethyl)piperazine

IUPAC name

tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Names and Identifiers

Registration numbers

PubChem CID

735736

CAS Number

77279-24-4867359-85-1

PubChem SID

162047967

MDL Number

MFCD00728947