(4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H18F2N2O — CID 787159

IUPAC(4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2N2O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13H2
InChIKeyUONFLWRPLUTSRT-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.92
Rot. Bonds3

About (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 787159) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID787159
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2N2O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13H2
InChIKeyUONFLWRPLUTSRT-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 787159) is (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UONFLWRPLUTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13H2.
What are the key properties of (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 316.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 787159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).