1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone

C13H19N3O2 — CID 43375641

IUPAC1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc(N)ccc2O)CC1
InChIInChI=1S/C13H19N3O2/c1-10(17)16-6-4-15(5-7-16)9-11-8-12(14)2-3-13(11)18/h2-3,8,18H,4-7,9,14H2,1H3
InChIKeyJPNWFZHFTZOCED-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.64
Rot. Bonds2

About 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone

1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 43375641) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID43375641
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc(N)ccc2O)CC1
InChIInChI=1S/C13H19N3O2/c1-10(17)16-6-4-15(5-7-16)9-11-8-12(14)2-3-13(11)18/h2-3,8,18H,4-7,9,14H2,1H3
InChIKeyJPNWFZHFTZOCED-UHFFFAOYSA-N
XLogP0.64
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(5-amino-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004194
tert-butyl 4-[(5-amino-2-hydroxyphenyl)methyl]piperazine-1-carboxylate
CID 104933485
1-[4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 82974119
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
4-amino-2-[[4-(2,2-dimethoxyethyl)piperazin-1-yl]methyl]phenol
CID 155403079
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
CID 55050237
1-[4-[(3-amino-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 43509104
5-amino-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 117219401
4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 43375473
tert-butyl 4-[(5-amino-2-methylphenyl)methyl]piperazine-1-carboxylate
CID 68628215
1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone
CID 156722332

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone (CID 43375641) is 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cc(N)ccc2O)CC1.
What is the InChIKey of 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is JPNWFZHFTZOCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)16-6-4-15(5-7-16)9-11-8-12(14)2-3-13(11)18/h2-3,8,18H,4-7,9,14H2,1H3.
What are the key properties of 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 43375641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).