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

C15H23N3O3 — CID 62473038

IUPAC2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H23N3O3/c1-21-11-6-12(16)15(20)18-9-7-17(8-10-18)13-4-2-3-5-14(13)19/h2-5,12,19H,6-11,16H2,1H3
InChIKeyDHJXZMHFBZFEHE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.40
Rot. Bonds5

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

2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one (PubChem CID 62473038) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
PubChem CID62473038
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H23N3O3/c1-21-11-6-12(16)15(20)18-9-7-17(8-10-18)13-4-2-3-5-14(13)19/h2-5,12,19H,6-11,16H2,1H3
InChIKeyDHJXZMHFBZFEHE-UHFFFAOYSA-N
XLogP0.40
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105
2-amino-3-methoxy-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120983662
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 62473760
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one (CID 62473038) is 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one is COCCC(N)C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one?
The InChIKey is DHJXZMHFBZFEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-11-6-12(16)15(20)18-9-7-17(8-10-18)13-4-2-3-5-14(13)19/h2-5,12,19H,6-11,16H2,1H3.
What are the key properties of 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one?
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one has a molecular weight of 293.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one is sourced from PubChem (CID 62473038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).