3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline

C22H24FN3O — CID 56906629

IUPAC3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN3O/c1-27-22-19(14-18-6-2-3-8-21(18)24-22)16-26-11-9-25(10-12-26)15-17-5-4-7-20(23)13-17/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyMIYLZGNREMNYFO-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.70
Rot. Bonds5

About 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline

3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline (PubChem CID 56906629) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline.

Molecular Properties

Compound Name3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
PubChem CID56906629
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN3O/c1-27-22-19(14-18-6-2-3-8-21(18)24-22)16-26-11-9-25(10-12-26)15-17-5-4-7-20(23)13-17/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyMIYLZGNREMNYFO-UHFFFAOYSA-N
XLogP3.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56911032
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
3-[(3-bromo-1,2,4-triazol-1-yl)methyl]-2-methoxyquinoline
CID 167969042
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 91969612
1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 56885373
ethane;2-methoxy-3-[5-[(4-sulfanylpiperazin-1-yl)methyl]-1H-indol-2-yl]quinoline
CID 142981824
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline?
The IUPAC name of 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline (CID 56906629) is 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline.
What is the SMILES notation for 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline?
The canonical SMILES for 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline is COc1nc2ccccc2cc1CN1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline?
The InChIKey is MIYLZGNREMNYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-27-22-19(14-18-6-2-3-8-21(18)24-22)16-26-11-9-25(10-12-26)15-17-5-4-7-20(23)13-17/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline?
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline has a molecular weight of 365.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline is sourced from PubChem (CID 56906629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).