1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine

C18H19F3N2O — CID 58576730

IUPAC1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
SMILESFC(F)(F)c1ccc(COc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)15-3-1-14(2-4-15)13-24-17-7-5-16(6-8-17)23-11-9-22-10-12-23/h1-8,22H,9-13H2
InChIKeyPVTDRANSAFHZTE-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.69
Rot. Bonds4

About 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine

1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine (PubChem CID 58576730) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
PubChem CID58576730
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
SMILESFC(F)(F)c1ccc(COc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)15-3-1-14(2-4-15)13-24-17-7-5-16(6-8-17)23-11-9-22-10-12-23/h1-8,22H,9-13H2
InChIKeyPVTDRANSAFHZTE-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine?
The IUPAC name of 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine (CID 58576730) is 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine.
What is the SMILES notation for 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine?
The canonical SMILES for 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine is FC(F)(F)c1ccc(COc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine?
The InChIKey is PVTDRANSAFHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)15-3-1-14(2-4-15)13-24-17-7-5-16(6-8-17)23-11-9-22-10-12-23/h1-8,22H,9-13H2.
What are the key properties of 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine?
1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine has a molecular weight of 336.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine is sourced from PubChem (CID 58576730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).