[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone

C25H24N2O — CID 118725820

IUPAC[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C25H24N2O/c1-18-7-6-8-19(17-18)25(28)27-15-13-26(14-16-27)24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-12,17,24H,13-16H2,1H3
InChIKeyQJMVRFHARZVUJE-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.52
Rot. Bonds2

About [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 118725820) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID118725820
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C25H24N2O/c1-18-7-6-8-19(17-18)25(28)27-15-13-26(14-16-27)24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-12,17,24H,13-16H2,1H3
InChIKeyQJMVRFHARZVUJE-UHFFFAOYSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 118725820) is [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is QJMVRFHARZVUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-7-6-8-19(17-18)25(28)27-15-13-26(14-16-27)24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-12,17,24H,13-16H2,1H3.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 368.48 g/mol, XLogP of 4.52, 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]-(3-methylphenyl)methanone is sourced from PubChem (CID 118725820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).