1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine

C28H31F3N2O2 — CID 110182019

IUPAC1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(OCC(COc2ccc(C)cc2)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C28H31F3N2O2/c1-21-7-11-24(12-8-21)34-19-23(20-35-25-13-9-22(2)10-14-25)32-15-17-33(18-16-32)27-6-4-3-5-26(27)28(29,30)31/h3-14,23H,15-20H2,1-2H3
InChIKeyIAQYUYGLDZUSGC-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.97
Rot. Bonds8

About 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine

1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 110182019) has the molecular formula C28H31F3N2O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID110182019
Molecular FormulaC28H31F3N2O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(OCC(COc2ccc(C)cc2)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C28H31F3N2O2/c1-21-7-11-24(12-8-21)34-19-23(20-35-25-13-9-22(2)10-14-25)32-15-17-33(18-16-32)27-6-4-3-5-26(27)28(29,30)31/h3-14,23H,15-20H2,1-2H3
InChIKeyIAQYUYGLDZUSGC-UHFFFAOYSA-N
XLogP5.97
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]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

1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-phenylpiperazine
CID 110181956
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-(4-fluorophenyl)piperazine
CID 110181954
3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117244051
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
2-(2-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 113078007
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113078021
1-(2-bromoethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 80667654
5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid
CID 71155087
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
CID 79737048
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine (CID 110182019) is 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine is Cc1ccc(OCC(COc2ccc(C)cc2)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is IAQYUYGLDZUSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N2O2/c1-21-7-11-24(12-8-21)34-19-23(20-35-25-13-9-22(2)10-14-25)32-15-17-33(18-16-32)27-6-4-3-5-26(27)28(29,30)31/h3-14,23H,15-20H2,1-2H3.
What are the key properties of 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine?
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 484.56 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 110182019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).