2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone

C26H26N2O2 — CID 4226169

IUPAC2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H26N2O2/c1-30-25-13-7-6-12-23(25)24(29)18-27-14-16-28(17-15-27)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-13,26H,14-18H2,1H3
InChIKeyCIHPOZPKRXEINP-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.27
Rot. Bonds5

About 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone (PubChem CID 4226169) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone
PubChem CID4226169
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H26N2O2/c1-30-25-13-7-6-12-23(25)24(29)18-27-14-16-28(17-15-27)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-13,26H,14-18H2,1H3
InChIKeyCIHPOZPKRXEINP-UHFFFAOYSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
CID 4226165
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-phenylethanone
CID 2814694
1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777985
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
CID 8774574
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
CID 2815524
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 72550463
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 118725821
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone (CID 4226169) is 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone?
The InChIKey is CIHPOZPKRXEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-30-25-13-7-6-12-23(25)24(29)18-27-14-16-28(17-15-27)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-13,26H,14-18H2,1H3.
What are the key properties of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone?
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone has a molecular weight of 398.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 4226169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).