1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C18H18ClF3N2 — CID 1377004

IUPAC1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H18ClF3N2/c19-17-7-2-1-4-14(17)13-23-8-10-24(11-9-23)16-6-3-5-15(12-16)18(20,21)22/h1-7,12H,8-11,13H2
InChIKeyVDIVKKNESNONFV-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.68
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1377004) has the molecular formula C18H18ClF3N2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1377004
Molecular FormulaC18H18ClF3N2
Molecular Weight354.80 g/mol
Exact Mass354.11
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H18ClF3N2/c19-17-7-2-1-4-14(17)13-23-8-10-24(11-9-23)16-6-3-5-15(12-16)18(20,21)22/h1-7,12H,8-11,13H2
InChIKeyVDIVKKNESNONFV-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

LY-165163
CID 121930
1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(2-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 409926
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
1-(2-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 2845629
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
1-Phenethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2845594
1-Butyl-4-(2-chloro-3-ethylphenyl)piperazine
CID 155535272
1-(2-Chlorobenzyl)-4-phenylpiperazine
CID 765042
1-(4-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845455
1-Benzyl-4-(4-chlorophenyl)piperazine
CID 233199
1-(4-Chlorophenyl)-4-(2-methylbenzyl)piperazine
CID 750762

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1377004) is 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is VDIVKKNESNONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2/c19-17-7-2-1-4-14(17)13-23-8-10-24(11-9-23)16-6-3-5-15(12-16)18(20,21)22/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 354.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1377004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).