1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine

C18H19F3N2O — CID 90732660

IUPAC1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(-c2ccccc2CN2CCNCC2)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)24-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-23-11-9-22-10-12-23/h1-8,22H,9-13H2
InChIKeyQFWHVCGADXPFAY-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.66
Rot. Bonds4

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

1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine (PubChem CID 90732660) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
PubChem CID90732660
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(-c2ccccc2CN2CCNCC2)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)24-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-23-11-9-22-10-12-23/h1-8,22H,9-13H2
InChIKeyQFWHVCGADXPFAY-UHFFFAOYSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
CID 123869857
1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
CID 56701153
1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
CID 141314202
5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole
CID 129185891
1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 23046054
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine (CID 90732660) is 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine is FC(F)(F)Oc1ccc(-c2ccccc2CN2CCNCC2)cc1.
What is the InChIKey of 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine?
The InChIKey is QFWHVCGADXPFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)24-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-23-11-9-22-10-12-23/h1-8,22H,9-13H2.
What are the key properties of 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine?
1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine has a molecular weight of 336.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 90732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).