(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone

C20H24N2O2 — CID 70736458

IUPAC(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(O)c3C)C(C)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-7-9-17(10-8-14)21-11-12-22(15(2)13-21)20(24)18-5-4-6-19(23)16(18)3/h4-10,15,23H,11-13H2,1-3H3
InChIKeyBIXCLCNLYIRYJN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.36
Rot. Bonds2

About (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone

(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone (PubChem CID 70736458) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
PubChem CID70736458
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(O)c3C)C(C)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-7-9-17(10-8-14)21-11-12-22(15(2)13-21)20(24)18-5-4-6-19(23)16(18)3/h4-10,15,23H,11-13H2,1-3H3
InChIKeyBIXCLCNLYIRYJN-UHFFFAOYSA-N
XLogP3.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

cyclohexa-1,3-dien-1-yl-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 139470960
2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 45196110
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
CID 167890769
3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
CID 110741146
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830805
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 122149668
5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one
CID 138046695
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone (CID 70736458) is (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cccc(O)c3C)C(C)C2)cc1.
What is the InChIKey of (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is BIXCLCNLYIRYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-9-17(10-8-14)21-11-12-22(15(2)13-21)20(24)18-5-4-6-19(23)16(18)3/h4-10,15,23H,11-13H2,1-3H3.
What are the key properties of (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone?
(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70736458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).