1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one

C21H24N2O — CID 126479921

IUPAC1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H24N2O/c1-2-7-20(24)22-12-14-23(15-13-22)21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3-6,8-11,21H,2,7,12-15H2,1H3
InChIKeyIXNLZJPBAPCCBF-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.70
Rot. Bonds3

About 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one

1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one (PubChem CID 126479921) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one
PubChem CID126479921
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H24N2O/c1-2-7-20(24)22-12-14-23(15-13-22)21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3-6,8-11,21H,2,7,12-15H2,1H3
InChIKeyIXNLZJPBAPCCBF-UHFFFAOYSA-N
XLogP3.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one (CID 126479921) is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one?
The InChIKey is IXNLZJPBAPCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-7-20(24)22-12-14-23(15-13-22)21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3-6,8-11,21H,2,7,12-15H2,1H3.
What are the key properties of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one?
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]butan-1-one has a molecular weight of 320.44 g/mol, XLogP of 3.70, 3 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]butan-1-one is sourced from PubChem (CID 126479921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).