1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one

C21H25FN2O — CID 110310464

IUPAC1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H25FN2O/c1-16-7-9-17(10-8-16)11-12-21(25)24-14-13-23(2)20(15-24)18-5-3-4-6-19(18)22/h3-10,20H,11-15H2,1-2H3
InChIKeyZEHMFOUQEVZHHS-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.58
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one (PubChem CID 110310464) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
PubChem CID110310464
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H25FN2O/c1-16-7-9-17(10-8-16)11-12-21(25)24-14-13-23(2)20(15-24)18-5-3-4-6-19(18)22/h3-10,20H,11-15H2,1-2H3
InChIKeyZEHMFOUQEVZHHS-UHFFFAOYSA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110310462
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-(4-chlorophenyl)-4-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110310485
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
CID 110310475
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110310490
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one (CID 110310464) is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCN(C)C(c3ccccc3F)C2)cc1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
The InChIKey is ZEHMFOUQEVZHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16-7-9-17(10-8-16)11-12-21(25)24-14-13-23(2)20(15-24)18-5-3-4-6-19(18)22/h3-10,20H,11-15H2,1-2H3.
What are the key properties of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one?
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one has a molecular weight of 340.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 110310464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).