1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine

C24H23FN2 — CID 3499619

IUPAC1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H23FN2/c25-23-12-6-1-7-18(23)17-26-13-15-27(16-14-26)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,24H,13-17H2
InChIKeyFQTRBWDFZPGUAT-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.71
Rot. Bonds3

About 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine

1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 3499619) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID3499619
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H23FN2/c25-23-12-6-1-7-18(23)17-26-13-15-27(16-14-26)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,24H,13-17H2
InChIKeyFQTRBWDFZPGUAT-UHFFFAOYSA-N
XLogP4.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine (CID 3499619) is 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine is Fc1ccccc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is FQTRBWDFZPGUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2/c25-23-12-6-1-7-18(23)17-26-13-15-27(16-14-26)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,24H,13-17H2.
What are the key properties of 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine?
1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 358.46 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3499619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).