1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one

C27H28F2N2O2 — CID 10575547

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one
SMILESO=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H28F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-31-17-16-30(20-26(31)32)15-14-21-4-2-1-3-5-21/h1-13,27H,14-20H2
InChIKeyUKJAARKQBNAPHJ-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.46
Rot. Bonds9

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one (PubChem CID 10575547) has the molecular formula C27H28F2N2O2 and a molecular weight of 450.53 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one
PubChem CID10575547
Molecular FormulaC27H28F2N2O2
Molecular Weight450.53 g/mol
Exact Mass450.21
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one
SMILESO=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H28F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-31-17-16-30(20-26(31)32)15-14-21-4-2-1-3-5-21/h1-13,27H,14-20H2
InChIKeyUKJAARKQBNAPHJ-UHFFFAOYSA-N
XLogP4.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one (CID 10575547) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one is O=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one?
The InChIKey is UKJAARKQBNAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-31-17-16-30(20-26(31)32)15-14-21-4-2-1-3-5-21/h1-13,27H,14-20H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one has a molecular weight of 450.53 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 10575547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).