4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride

C20H24ClFN4O2 — CID 67651052

IUPAC4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
SMILESCOc1cncnc1N1CCNCC1CCCc1coc2ccc(F)cc12.Cl
InChIInChI=1S/C20H23FN4O2.ClH/c1-26-19-11-23-13-24-20(19)25-8-7-22-10-16(25)4-2-3-14-12-27-18-6-5-15(21)9-17(14)18;/h5-6,9,11-13,16,22H,2-4,7-8,10H2,1H3;1H
InChIKeyNPBAAHZLJRHRNL-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.59
Rot. Bonds6

About 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride

4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride (PubChem CID 67651052) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
PubChem CID67651052
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC Name4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
SMILESCOc1cncnc1N1CCNCC1CCCc1coc2ccc(F)cc12.Cl
InChIInChI=1S/C20H23FN4O2.ClH/c1-26-19-11-23-13-24-20(19)25-8-7-22-10-16(25)4-2-3-14-12-27-18-6-5-15(21)9-17(14)18;/h5-6,9,11-13,16,22H,2-4,7-8,10H2,1H3;1H
InChIKeyNPBAAHZLJRHRNL-UHFFFAOYSA-N
XLogP3.59
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride 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

4-[2-[3-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 67651528
4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine
CID 67651689
2-[3-(5-bromo-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650689
2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733108
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66327162
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
CID 67722898
2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 19090007
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
The IUPAC name of 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride (CID 67651052) is 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride.
What is the SMILES notation for 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
The canonical SMILES for 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride is COc1cncnc1N1CCNCC1CCCc1coc2ccc(F)cc12.Cl.
What is the InChIKey of 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
The InChIKey is NPBAAHZLJRHRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2.ClH/c1-26-19-11-23-13-24-20(19)25-8-7-22-10-16(25)4-2-3-14-12-27-18-6-5-15(21)9-17(14)18;/h5-6,9,11-13,16,22H,2-4,7-8,10H2,1H3;1H.
What are the key properties of 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride?
4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(5-fluoro-1-benzofuran-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine;hydrochloride is sourced from PubChem (CID 67651052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).