1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one

C23H28N2O — CID 3315507

IUPAC1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C23H28N2O/c1-23(2,3)21(26)16-24-12-14-25(15-13-24)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-11,22H,12-16H2,1-3H3
InChIKeyDUPTYLSZFPSMAQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.99
Rot. Bonds3

About 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one

1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 3315507) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID3315507
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C23H28N2O/c1-23(2,3)21(26)16-24-12-14-25(15-13-24)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-11,22H,12-16H2,1-3H3
InChIKeyDUPTYLSZFPSMAQ-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 10567738
1'-[(2-Acetyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 11624970
1-Methyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 44358098
1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 44363498
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 166627285
isopropyl [4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
CID 3238233
2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone
CID 134139727
N-cyclohexyl-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-methylacetamide
CID 45868215
2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]acetamide;dihydrochloride
CID 49861228
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]pentan-1-one
CID 112841590
1-benzyl-4-(9H-fluoren-9-yl)piperazine
CID 118725827
N-[1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118744854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one (CID 3315507) is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is DUPTYLSZFPSMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-23(2,3)21(26)16-24-12-14-25(15-13-24)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-11,22H,12-16H2,1-3H3.
What are the key properties of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 348.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 3315507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).