1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone

C22H28N2O2 — CID 9257709

IUPAC1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C22H28N2O2/c1-17-6-4-5-7-20(17)15-23-10-12-24(13-11-23)16-21-14-19(18(2)25)8-9-22(21)26-3/h4-9,14H,10-13,15-16H2,1-3H3
InChIKeyXDPQGORDEMKMHZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone

1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone (PubChem CID 9257709) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
PubChem CID9257709
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C22H28N2O2/c1-17-6-4-5-7-20(17)15-23-10-12-24(13-11-23)16-21-14-19(18(2)25)8-9-22(21)26-3/h4-9,14H,10-13,15-16H2,1-3H3
InChIKeyXDPQGORDEMKMHZ-UHFFFAOYSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 9258775
1-[3-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8691222
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8704243
1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone
CID 8742968
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
2-[4-[(5-acetyl-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434319
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
(4-bromo-3,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 27841153

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone (CID 9257709) is 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone?
The InChIKey is XDPQGORDEMKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-6-4-5-7-20(17)15-23-10-12-24(13-11-23)16-21-14-19(18(2)25)8-9-22(21)26-3/h4-9,14H,10-13,15-16H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 9257709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).