(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone

C13H18N2O2 — CID 16789345

IUPAC(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-9-2-3-10(8-12(9)14)13(17)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7,14H2,1H3
InChIKeyQSZULGHAUQUYJG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds1

About (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone

(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 16789345) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID16789345
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-9-2-3-10(8-12(9)14)13(17)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7,14H2,1H3
InChIKeyQSZULGHAUQUYJG-UHFFFAOYSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-4-methylphenyl)-(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

1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413
(3-amino-4-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54976973
(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110909517
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210549
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 81476455
1-(3-amino-4-methylbenzoyl)azetidine-3-carboxylic acid
CID 79311485
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 16789345) is (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(O)CC2)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is QSZULGHAUQUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-3-10(8-12(9)14)13(17)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7,14H2,1H3.
What are the key properties of (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 16789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).