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

C15H23N3O2 — CID 80542807

IUPAC4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCC(CCN)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H23N3O2/c1-12(6-7-16)15(20)18-10-8-17(9-11-18)13-4-2-3-5-14(13)19/h2-5,12,19H,6-11,16H2,1H3
InChIKeyZXLGIMINQHLPLI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.03
Rot. Bonds4

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

4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 80542807) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID80542807
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCC(CCN)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H23N3O2/c1-12(6-7-16)15(20)18-10-8-17(9-11-18)13-4-2-3-5-14(13)19/h2-5,12,19H,6-11,16H2,1H3
InChIKeyZXLGIMINQHLPLI-UHFFFAOYSA-N
XLogP1.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 62473038
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 8528679
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one (CID 80542807) is 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one is CC(CCN)C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is ZXLGIMINQHLPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(6-7-16)15(20)18-10-8-17(9-11-18)13-4-2-3-5-14(13)19/h2-5,12,19H,6-11,16H2,1H3.
What are the key properties of 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 80542807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).