1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine

C27H29F3N2O2 — CID 10600444

IUPAC1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C27H29F3N2O2/c1-33-26-10-6-5-9-24(26)32-19-17-31(18-20-32)16-15-25(21-7-3-2-4-8-21)34-23-13-11-22(12-14-23)27(28,29)30/h2-14,25H,15-20H2,1H3
InChIKeyDKAXYCXGSBKEAV-UHFFFAOYSA-N
MW470.54 g/mol
LogP6.05
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine

1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine (PubChem CID 10600444) has the molecular formula C27H29F3N2O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
PubChem CID10600444
Molecular FormulaC27H29F3N2O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C27H29F3N2O2/c1-33-26-10-6-5-9-24(26)32-19-17-31(18-20-32)16-15-25(21-7-3-2-4-8-21)34-23-13-11-22(12-14-23)27(28,29)30/h2-14,25H,15-20H2,1H3
InChIKeyDKAXYCXGSBKEAV-UHFFFAOYSA-N
XLogP6.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4418
CID 4418
CID 13333
CID 13333
CID 121102
CID 121102
CID 22615724
CID 22615724
CID 3826471
CID 3826471
CID 54598062
CID 54598062
CID 91937906
CID 91937906
CID 10091187
CID 10091187
CID 44276571
CID 44276571
CID 57672016
CID 57672016
CID 6603939
CID 6603939
CID 192638
CID 192638

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine (CID 10600444) is 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine is COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The InChIKey is DKAXYCXGSBKEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O2/c1-33-26-10-6-5-9-24(26)32-19-17-31(18-20-32)16-15-25(21-7-3-2-4-8-21)34-23-13-11-22(12-14-23)27(28,29)30/h2-14,25H,15-20H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine has a molecular weight of 470.54 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazine is sourced from PubChem (CID 10600444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).