2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one

C14H21N3O2 — CID 54868660

IUPAC2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-11(15)14(19)17-9-7-16(8-10-17)12-5-3-4-6-13(12)18/h3-6,11,18H,2,7-10,15H2,1H3
InChIKeyZSRUQTACYYKNEI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one

2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one (PubChem CID 54868660) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
PubChem CID54868660
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-11(15)14(19)17-9-7-16(8-10-17)12-5-3-4-6-13(12)18/h3-6,11,18H,2,7-10,15H2,1H3
InChIKeyZSRUQTACYYKNEI-UHFFFAOYSA-N
XLogP0.78
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 62473038
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 8528679
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one (CID 54868660) is 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one is CCC(N)C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is ZSRUQTACYYKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-11(15)14(19)17-9-7-16(8-10-17)12-5-3-4-6-13(12)18/h3-6,11,18H,2,7-10,15H2,1H3.
What are the key properties of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one?
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 54868660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).