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

C14H17F5N2O — CID 175156494

IUPAC3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)OCC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C14H17F5N2O/c15-13(16)22-9-12-8-21(6-5-20-12)7-10-1-3-11(4-2-10)14(17,18)19/h1-4,12-13,20H,5-9H2
InChIKeyJABNDTZIMITEFB-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.72
Rot. Bonds5

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

3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 175156494) has the molecular formula C14H17F5N2O and a molecular weight of 324.29 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID175156494
Molecular FormulaC14H17F5N2O
Molecular Weight324.29 g/mol
Exact Mass324.13
IUPAC Name3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)OCC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C14H17F5N2O/c15-13(16)22-9-12-8-21(6-5-20-12)7-10-1-3-11(4-2-10)14(17,18)19/h1-4,12-13,20H,5-9H2
InChIKeyJABNDTZIMITEFB-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 64872070
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
CID 175158336
[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate
CID 174462251
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine
CID 156773922
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[[(2R)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methyl]butane-1,4-diamine
CID 155767231

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 175156494) is 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)OCC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is JABNDTZIMITEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2O/c15-13(16)22-9-12-8-21(6-5-20-12)7-10-1-3-11(4-2-10)14(17,18)19/h1-4,12-13,20H,5-9H2.
What are the key properties of 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 324.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 175156494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).