1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

C24H29F3N2O2 — CID 22037925

IUPAC1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESCCN1CCN(C2c3cc(OC)ccc3CCC2Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H29F3N2O2/c1-3-28-12-14-29(15-13-28)23-21-16-20(30-2)8-4-17(21)5-11-22(23)31-19-9-6-18(7-10-19)24(25,26)27/h4,6-10,16,22-23H,3,5,11-15H2,1-2H3
InChIKeyPDKFZOHBQODFNO-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.79
Rot. Bonds5

About 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (PubChem CID 22037925) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
PubChem CID22037925
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESCCN1CCN(C2c3cc(OC)ccc3CCC2Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H29F3N2O2/c1-3-28-12-14-29(15-13-28)23-21-16-20(30-2)8-4-17(21)5-11-22(23)31-19-9-6-18(7-10-19)24(25,26)27/h4,6-10,16,22-23H,3,5,11-15H2,1-2H3
InChIKeyPDKFZOHBQODFNO-UHFFFAOYSA-N
XLogP4.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The IUPAC name of 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (CID 22037925) is 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is CCN1CCN(C2c3cc(OC)ccc3CCC2Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The InChIKey is PDKFZOHBQODFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-3-28-12-14-29(15-13-28)23-21-16-20(30-2)8-4-17(21)5-11-22(23)31-19-9-6-18(7-10-19)24(25,26)27/h4,6-10,16,22-23H,3,5,11-15H2,1-2H3.
What are the key properties of 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine has a molecular weight of 434.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[7-methoxy-2-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is sourced from PubChem (CID 22037925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).