1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

C20H24Cl2F2N2O — CID 10112652

IUPAC1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1F
InChIInChI=1S/C20H22F2N2O.2ClH/c21-17-7-5-16(6-8-17)15-24-13-11-23(12-14-24)10-9-20(25)18-3-1-2-4-19(18)22;;/h1-8H,9-15H2;2*1H
InChIKeyCHHWHOWVLIXTDH-UHFFFAOYSA-N
MW417.33 g/mol
LogP4.20
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 10112652) has the molecular formula C20H24Cl2F2N2O and a molecular weight of 417.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID10112652
Molecular FormulaC20H24Cl2F2N2O
Molecular Weight417.33 g/mol
Exact Mass416.12
IUPAC Name1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1F
InChIInChI=1S/C20H22F2N2O.2ClH/c21-17-7-5-16(6-8-17)15-24-13-11-23(12-14-24)10-9-20(25)18-3-1-2-4-19(18)22;;/h1-8H,9-15H2;2*1H
InChIKeyCHHWHOWVLIXTDH-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 10112652) is 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is CHHWHOWVLIXTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O.2ClH/c21-17-7-5-16(6-8-17)15-24-13-11-23(12-14-24)10-9-20(25)18-3-1-2-4-19(18)22;;/h1-8H,9-15H2;2*1H.
What are the key properties of 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 417.33 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 10112652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).