CAS 67914-60-7|1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone|1-Acetyl-4-(4-hydroxyphenyl)piperazine|1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one|1-Acetyl-4-(4-hydroxyphenyl)piperazine|1-[4-(4-Hy...

General Information

Structure

Molecular Formula

C₁₂H₁₆N₂O₂

Molecular Mass

220.26764

Exact Mass

220.12117776

Charge

InChI

InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3

InChIKey

AGVNLFCRZULMKK-UHFFFAOYSA-N

Canonic Smiles

CC(=O)N1CCN(CC1)c1ccc(cc1)O

Isomeric Smiles

N1(C(=O)C)CCN(c2ccc(cc2)O)CC1

Calculated Properties

JChem

Acid pKa

10.298346

H Acceptors

H Donor

LogD (pH = 5.5)

0.8220051

LogD (pH = 7.4)

0.850779

Log P

0.8517383

Molar Refractivity

62.7888

Polarizability

23.604305

Polar Surface Area

43.78

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

IUPAC name

1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one

Synonyms

1-Acetyl-4-(4-hydroxyphenyl)piperazine1-Acetyl-4-(4-hydroxyphenyl)piperazine1-[4-(4-Hydroxyphenyl)piperazino]ethan-1-one1-乙酰基-4-(4-羟基苯基)哌嗪1-Acetyl-4-(4-hydroxyphenyl)piperazine1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one1-Acetyl-4-(p-hydroxyphenyl)piperazine4-(4-Acetylpiperazino)phenol1-[4-(4-Hydroxyphenyl)-1-piperazinyl]ethanone1-(4-(4-hydroxyphenyl)piperazin-1-yl)ethanone4-(4-Acetyl-1-piperazinyl)phenol1-乙酰-4-(4-羟基苯基)哌嗪

Names and Identifiers

Registration numbers

Beilstein Number

CAS Number

EC Number

PubChem CID

MDL Number