2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

C14H21N3O2 — CID 60672816

IUPAC2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCCNCC(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-15-11-14(19)17-9-7-16(8-10-17)12-5-3-4-6-13(12)18/h3-6,15,18H,2,7-11H2,1H3
InChIKeyDMSPIHBFIGGLFL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.65
Rot. Bonds4

About 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 60672816) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID60672816
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCCNCC(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H21N3O2/c1-2-15-11-14(19)17-9-7-16(8-10-17)12-5-3-4-6-13(12)18/h3-6,15,18H,2,7-11H2,1H3
InChIKeyDMSPIHBFIGGLFL-UHFFFAOYSA-N
XLogP0.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 79843787
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134038263
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807
1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
CID 62230150
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 60672816) is 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is CCNCC(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is DMSPIHBFIGGLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-15-11-14(19)17-9-7-16(8-10-17)12-5-3-4-6-13(12)18/h3-6,15,18H,2,7-11H2,1H3.
What are the key properties of 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60672816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).