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

C19H22N2O3 — CID 25398097

IUPAC(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)c(O)c1
InChIInChI=1S/C19H22N2O3/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)19(23)17-7-6-16(24-2)13-18(17)22/h3-7,12-13,22H,8-11H2,1-2H3
InChIKeyZELNVNVMQHRWMV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds3

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

(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 25398097) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID25398097
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)c(O)c1
InChIInChI=1S/C19H22N2O3/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)19(23)17-7-6-16(24-2)13-18(17)22/h3-7,12-13,22H,8-11H2,1-2H3
InChIKeyZELNVNVMQHRWMV-UHFFFAOYSA-N
XLogP2.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113206568
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(5-bromo-2-hydroxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27164936
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25354788

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 25398097) is (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is ZELNVNVMQHRWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)19(23)17-7-6-16(24-2)13-18(17)22/h3-7,12-13,22H,8-11H2,1-2H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25398097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).