(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane

C14H23N3O2 — CID 143389345

IUPAC(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)c2cccc(N)c2O)CC1
InChIInChI=1S/C12H17N3O2.C2H6/c1-14-5-7-15(8-6-14)12(17)9-3-2-4-10(13)11(9)16;1-2/h2-4,16H,5-8,13H2,1H3;1-2H3
InChIKeyCJIJSJDNJUSLHJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds1

About (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane

(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane (PubChem CID 143389345) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
PubChem CID143389345
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)c2cccc(N)c2O)CC1
InChIInChI=1S/C12H17N3O2.C2H6/c1-14-5-7-15(8-6-14)12(17)9-3-2-4-10(13)11(9)16;1-2/h2-4,16H,5-8,13H2,1H3;1-2H3
InChIKeyCJIJSJDNJUSLHJ-UHFFFAOYSA-N
XLogP1.39
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
(3-amino-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 115548225
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 113386508
1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
CID 89354748
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
(1-methylpiperidin-4-yl) 3-amino-2-hydroxybenzoate
CID 113386626
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane (CID 143389345) is (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane is CC.CN1CCN(C(=O)c2cccc(N)c2O)CC1.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane?
The InChIKey is CJIJSJDNJUSLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C2H6/c1-14-5-7-15(8-6-14)12(17)9-3-2-4-10(13)11(9)16;1-2/h2-4,16H,5-8,13H2,1H3;1-2H3.
What are the key properties of (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane?
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane has a molecular weight of 265.36 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane is sourced from PubChem (CID 143389345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).