N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline

C25H26F3N3 — CID 19827128

IUPACN-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(CCNc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H26F3N3/c26-21-8-4-19(5-9-21)25(20-6-10-22(27)11-7-20)31-16-14-30(15-17-31)13-12-29-24-3-1-2-23(28)18-24/h1-11,18,25,29H,12-17H2
InChIKeyITXFVUQQJHFXHU-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.92
Rot. Bonds7

About N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline

N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline (PubChem CID 19827128) has the molecular formula C25H26F3N3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
PubChem CID19827128
Molecular FormulaC25H26F3N3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(CCNc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H26F3N3/c26-21-8-4-19(5-9-21)25(20-6-10-22(27)11-7-20)31-16-14-30(15-17-31)13-12-29-24-3-1-2-23(28)18-24/h1-11,18,25,29H,12-17H2
InChIKeyITXFVUQQJHFXHU-UHFFFAOYSA-N
XLogP4.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 63503645
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561539
1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47522140
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
CID 55143465
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline (CID 19827128) is N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline is Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCNc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline?
The InChIKey is ITXFVUQQJHFXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3/c26-21-8-4-19(5-9-21)25(20-6-10-22(27)11-7-20)31-16-14-30(15-17-31)13-12-29-24-3-1-2-23(28)18-24/h1-11,18,25,29H,12-17H2.
What are the key properties of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline?
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline has a molecular weight of 425.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline is sourced from PubChem (CID 19827128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).