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

C17H19F3N2O — CID 771867

IUPAC1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2
InChIKeyFIYVLVJYYVSCRI-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.62
Rot. Bonds4

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

1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 771867) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID771867
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2
InChIKeyFIYVLVJYYVSCRI-UHFFFAOYSA-N
XLogP3.62
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
2-[2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 148633925
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane
CID 3824106
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 136535627
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 771867) is 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is FIYVLVJYYVSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 324.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 771867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).