4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline

C24H26FN3 — CID 1017283

IUPAC4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C24H26FN3/c25-22-8-6-20(7-9-22)18-26-23-10-12-24(13-11-23)28-16-14-27(15-17-28)19-21-4-2-1-3-5-21/h1-13,26H,14-19H2
InChIKeyDYJAZHBRHRTIQO-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.76
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline

4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 1017283) has the molecular formula C24H26FN3 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline
PubChem CID1017283
Molecular FormulaC24H26FN3
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C24H26FN3/c25-22-8-6-20(7-9-22)18-26-23-10-12-24(13-11-23)28-16-14-27(15-17-28)19-21-4-2-1-3-5-21/h1-13,26H,14-19H2
InChIKeyDYJAZHBRHRTIQO-UHFFFAOYSA-N
XLogP4.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline (CID 1017283) is 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is DYJAZHBRHRTIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3/c25-22-8-6-20(7-9-22)18-26-23-10-12-24(13-11-23)28-16-14-27(15-17-28)19-21-4-2-1-3-5-21/h1-13,26H,14-19H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline?
4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 375.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 1017283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).