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

C20H23F3N2O — CID 1351397

IUPAC1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccccc1CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H23F3N2O/c1-26-19-5-3-2-4-17(19)15-25-12-10-24(11-13-25)14-16-6-8-18(9-7-16)20(21,22)23/h2-9H,10-15H2,1H3
InChIKeyPTJLBFKMUFLXFK-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.03
Rot. Bonds5

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

1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 1351397) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID1351397
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccccc1CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H23F3N2O/c1-26-19-5-3-2-4-17(19)15-25-12-10-24(11-13-25)14-16-6-8-18(9-7-16)20(21,22)23/h2-9H,10-15H2,1H3
InChIKeyPTJLBFKMUFLXFK-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1161062
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171335225
1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 146607964
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
2-(2-methoxyphenyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 60506594

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 1351397) is 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is COc1ccccc1CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is PTJLBFKMUFLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-26-19-5-3-2-4-17(19)15-25-12-10-24(11-13-25)14-16-6-8-18(9-7-16)20(21,22)23/h2-9H,10-15H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 364.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 1351397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).