2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline

C15H22FN3O — CID 175034441

IUPAC2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline
SMILESNc1ccc(CN2CCN(C3CCOC3)CC2)cc1F
InChIInChI=1S/C15H22FN3O/c16-14-9-12(1-2-15(14)17)10-18-4-6-19(7-5-18)13-3-8-20-11-13/h1-2,9,13H,3-8,10-11,17H2
InChIKeyCFZFLOGZNASKMY-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.31
Rot. Bonds3

About 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline

2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline (PubChem CID 175034441) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline
PubChem CID175034441
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline
SMILESNc1ccc(CN2CCN(C3CCOC3)CC2)cc1F
InChIInChI=1S/C15H22FN3O/c16-14-9-12(1-2-15(14)17)10-18-4-6-19(7-5-18)13-3-8-20-11-13/h1-2,9,13H,3-8,10-11,17H2
InChIKeyCFZFLOGZNASKMY-UHFFFAOYSA-N
XLogP1.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline 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

1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
CID 63188373
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]aniline
CID 63188505
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667782
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
4-[(4,4-dimethylazepan-1-yl)methyl]-2-fluoroaniline
CID 65282779
1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
CID 47646907
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368313
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
3-[(4-cyclopropylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646026

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline?
The IUPAC name of 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline (CID 175034441) is 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline is Nc1ccc(CN2CCN(C3CCOC3)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline?
The InChIKey is CFZFLOGZNASKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-14-9-12(1-2-15(14)17)10-18-4-6-19(7-5-18)13-3-8-20-11-13/h1-2,9,13H,3-8,10-11,17H2.
What are the key properties of 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline?
2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline has a molecular weight of 279.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline is sourced from PubChem (CID 175034441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).