(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C20H24N2O2 — CID 110909517

IUPAC(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(O)c3ccccc3)CC2)cc1N
InChIInChI=1S/C20H24N2O2/c1-14-7-8-17(13-18(14)21)20(24)22-11-9-16(10-12-22)19(23)15-5-3-2-4-6-15/h2-8,13,16,19,23H,9-12,21H2,1H3
InChIKeyFXJFQEYPSNXRHF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.16
Rot. Bonds3

About (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 110909517) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID110909517
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(O)c3ccccc3)CC2)cc1N
InChIInChI=1S/C20H24N2O2/c1-14-7-8-17(13-18(14)21)20(24)22-11-9-16(10-12-22)19(23)15-5-3-2-4-6-15/h2-8,13,16,19,23H,9-12,21H2,1H3
InChIKeyFXJFQEYPSNXRHF-UHFFFAOYSA-N
XLogP3.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.16
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-[hydroxy(phenyl)methyl]piperidin-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-hydroxypiperidin-1-yl)methanone
CID 16789345
(3,5-dimethoxy-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 46445696
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95193737
(3-chloro-4-methylphenyl)-[3-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 157456010
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 110883123
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 110909517) is (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(C(O)c3ccccc3)CC2)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is FXJFQEYPSNXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-8-17(13-18(14)21)20(24)22-11-9-16(10-12-22)19(23)15-5-3-2-4-6-15/h2-8,13,16,19,23H,9-12,21H2,1H3.
What are the key properties of (3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.16, 3 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-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110909517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).