5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one

C22H25F3N2O — CID 71523427

IUPAC5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)19-10-12-20(13-11-19)26-14-16-27(17-15-26)21(28)9-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,14-17H2
InChIKeyFQGDJXYTOZYDSB-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.77
Rot. Bonds6

About 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one

5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one (PubChem CID 71523427) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
PubChem CID71523427
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)19-10-12-20(13-11-19)26-14-16-27(17-15-26)21(28)9-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,14-17H2
InChIKeyFQGDJXYTOZYDSB-UHFFFAOYSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one (CID 71523427) is 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one is O=C(CCCCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one?
The InChIKey is FQGDJXYTOZYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c23-22(24,25)19-10-12-20(13-11-19)26-14-16-27(17-15-26)21(28)9-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,14-17H2.
What are the key properties of 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one?
5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one has a molecular weight of 390.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 71523427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).