(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone

C12H16N2O3 — CID 58736577

IUPAC(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCC(O)CC2)c1O
InChIInChI=1S/C12H16N2O3/c13-10-3-1-2-9(11(10)16)12(17)14-6-4-8(15)5-7-14/h1-3,8,15-16H,4-7,13H2
InChIKeyYYGSURPBULPNEA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.57
Rot. Bonds1

About (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone

(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 58736577) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID58736577
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCC(O)CC2)c1O
InChIInChI=1S/C12H16N2O3/c13-10-3-1-2-9(11(10)16)12(17)14-6-4-8(15)5-7-14/h1-3,8,15-16H,4-7,13H2
InChIKeyYYGSURPBULPNEA-UHFFFAOYSA-N
XLogP0.57
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
CID 89354748
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410
(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 113386508
(2-amino-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 111778737
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(6-amino-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 103542769
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 58736577) is (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone is Nc1cccc(C(=O)N2CCC(O)CC2)c1O.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YYGSURPBULPNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-3-1-2-9(11(10)16)12(17)14-6-4-8(15)5-7-14/h1-3,8,15-16H,4-7,13H2.
What are the key properties of (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 58736577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).