3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one

C20H23FN2O — CID 10294335

IUPAC3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c21-19-8-4-7-18(15-19)20(24)9-10-22-11-13-23(14-12-22)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2
InChIKeyXMHKVUDLPPZFJS-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.22
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one

3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 10294335) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
PubChem CID10294335
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c21-19-8-4-7-18(15-19)20(24)9-10-22-11-13-23(14-12-22)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2
InChIKeyXMHKVUDLPPZFJS-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
3-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323099
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
3-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)propan-1-one;dihydrochloride
CID 10159552
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 55696768
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidin-1-ylpropan-1-one;dihydrochloride
CID 19375517
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one (CID 10294335) is 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one is O=C(CCN1CCN(Cc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is XMHKVUDLPPZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-8-4-7-18(15-19)20(24)9-10-22-11-13-23(14-12-22)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one?
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 10294335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).