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

C25H24N2O — CID 9003925

IUPAC[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3
InChIKeyYJWADOTYZKBFIE-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.52
Rot. Bonds2

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

[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 9003925) 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]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID9003925
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3
InChIKeyYJWADOTYZKBFIE-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]-(4-methylphenyl)methanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 9003925) is [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is YJWADOTYZKBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-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]-(4-methylphenyl)methanone is sourced from PubChem (CID 9003925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).