5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine

C20H27FN4O — CID 139654537

IUPAC5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
SMILESCc1ncc(OCCCCN2CCN(c3ccccc3F)CC2)nc1C
InChIInChI=1S/C20H27FN4O/c1-16-17(2)23-20(15-22-16)26-14-6-5-9-24-10-12-25(13-11-24)19-8-4-3-7-18(19)21/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyMQAXQRFYFFKFKY-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.21
Rot. Bonds7

About 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine

5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine (PubChem CID 139654537) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
PubChem CID139654537
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
SMILESCc1ncc(OCCCCN2CCN(c3ccccc3F)CC2)nc1C
InChIInChI=1S/C20H27FN4O/c1-16-17(2)23-20(15-22-16)26-14-6-5-9-24-10-12-25(13-11-24)19-8-4-3-7-18(19)21/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyMQAXQRFYFFKFKY-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine 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

2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654545
2-[4-[4-(5,6-dimethylpyrazin-2-yl)oxybutyl]piperazin-1-yl]-4,6-dimethoxypyrimidine
CID 139654546
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
CID 3078068
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
CID 139623945
N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 91937741
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654548

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine?
The IUPAC name of 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine (CID 139654537) is 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine.
What is the SMILES notation for 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine?
The canonical SMILES for 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine is Cc1ncc(OCCCCN2CCN(c3ccccc3F)CC2)nc1C.
What is the InChIKey of 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine?
The InChIKey is MQAXQRFYFFKFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-16-17(2)23-20(15-22-16)26-14-6-5-9-24-10-12-25(13-11-24)19-8-4-3-7-18(19)21/h3-4,7-8,15H,5-6,9-14H2,1-2H3.
What are the key properties of 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine?
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine has a molecular weight of 358.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine is sourced from PubChem (CID 139654537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).