[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C24H21FN2O — CID 3412850

IUPAC[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H21FN2O/c25-18-11-9-17(10-12-18)24(28)27-15-13-26(14-16-27)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2
InChIKeyIGNXNXOPDFAXJY-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.35
Rot. Bonds2

About [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 3412850) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID3412850
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H21FN2O/c25-18-11-9-17(10-12-18)24(28)27-15-13-26(14-16-27)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2
InChIKeyIGNXNXOPDFAXJY-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Benzylpiperazin-1-yl)-2-phenyl-1H-indene-1,3(2H)-dione
CID 8088007
[4-(9H-fluoren-9-yl)piperazin-1-yl]-phenyl-methanone
CID 8366407
Dpi-221
CID 9891642
Benzamide, N-(9H-fluoren-9-yl)-
CID 100746
(4-(9H-Fluoren-9-yl)piperazin-1-yl)(p-tolyl)methanone
CID 9003925
4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-ethyl}-benzamide
CID 10474964
N-(4-((2,3-dihydro-1H-inden-2-yl)(propyl)amino)butyl)biphenyl-2-carboxamide
CID 54585226
4-fluoro-N-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]benzamide
CID 56683775
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide;hydrochloride
CID 137646394
4-(18F)fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide
CID 168296748
9H-fluoren-4-yl(piperidino)methanone
CID 2802294
N-[1-(2-fluorobenzyl)piperidin-3-yl]-N,3,5-trimethylbenzamide
CID 23723670

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 3412850) is [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is IGNXNXOPDFAXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-18-11-9-17(10-12-18)24(28)27-15-13-26(14-16-27)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 372.44 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 3412850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).