1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C19H21F3N2 — CID 765666

IUPAC1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H21F3N2/c1-15-4-2-5-16(12-15)14-23-8-10-24(11-9-23)18-7-3-6-17(13-18)19(20,21)22/h2-7,12-13H,8-11,14H2,1H3
InChIKeyZLTHNSWTHCRXKZ-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.34
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 765666) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID765666
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H21F3N2/c1-15-4-2-5-16(12-15)14-23-8-10-24(11-9-23)18-7-3-6-17(13-18)19(20,21)22/h2-7,12-13H,8-11,14H2,1H3
InChIKeyZLTHNSWTHCRXKZ-UHFFFAOYSA-N
XLogP4.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 765666) is 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is Cc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZLTHNSWTHCRXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c1-15-4-2-5-16(12-15)14-23-8-10-24(11-9-23)18-7-3-6-17(13-18)19(20,21)22/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 334.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 765666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).