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

C22H26N2O — CID 2746395

IUPAC1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H26N2O/c1-22(2,3)21(25)24-14-12-23(13-15-24)20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3
InChIKeyNWEFCXBBBNLTMH-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.95
Rot. Bonds1

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

1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 2746395) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID2746395
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H26N2O/c1-22(2,3)21(25)24-14-12-23(13-15-24)20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3
InChIKeyNWEFCXBBBNLTMH-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
[4-(9H-fluoren-9-yl)piperazin-1-yl]-phenyl-methanone
CID 8366407
(4-(9H-Fluoren-9-yl)piperazin-1-yl)(p-tolyl)methanone
CID 9003925
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
3-[4-(Diphenylmethyl)piperazin-1-yl]-3-oxopropanenitrile
CID 741176
N-(1-phenethyl-4-piperidyl)-N-benzylpropanamide
CID 14129724
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 3412850
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
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-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine
CID 13154762

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 2746395) is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NWEFCXBBBNLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-22(2,3)21(25)24-14-12-23(13-15-24)20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3.
What are the key properties of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 334.46 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 2746395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).