1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C24H31FN4O — CID 17496772

IUPAC1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O/c1-20(27-15-17-28(18-16-27)23-9-7-22(25)8-10-23)24(30)29-13-11-26(12-14-29)19-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3
InChIKeyOZAJZHFXGDQTLI-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.68
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 17496772) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID17496772
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O/c1-20(27-15-17-28(18-16-27)23-9-7-22(25)8-10-23)24(30)29-13-11-26(12-14-29)19-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3
InChIKeyOZAJZHFXGDQTLI-UHFFFAOYSA-N
XLogP2.68
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
(2R)-2-benzylsulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1318184
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 46055863
(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 17496772) is 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is OZAJZHFXGDQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-20(27-15-17-28(18-16-27)23-9-7-22(25)8-10-23)24(30)29-13-11-26(12-14-29)19-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 410.54 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17496772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).