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

C20H21F5N2O — CID 171701581

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)Oc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H21F5N2O/c21-19(22)28-18-6-4-15(5-7-18)13-26-8-10-27(11-9-26)14-16-2-1-3-17(12-16)20(23,24)25/h1-7,12,19H,8-11,13-14H2
InChIKeyZQQCKABUIGWFSO-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.62
Rot. Bonds6

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

1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171701581) has the molecular formula C20H21F5N2O and a molecular weight of 400.39 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171701581
Molecular FormulaC20H21F5N2O
Molecular Weight400.39 g/mol
Exact Mass400.16
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)Oc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H21F5N2O/c21-19(22)28-18-6-4-15(5-7-18)13-26-8-10-27(11-9-26)14-16-2-1-3-17(12-16)20(23,24)25/h1-7,12,19H,8-11,13-14H2
InChIKeyZQQCKABUIGWFSO-UHFFFAOYSA-N
XLogP4.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 6211513
(Z)-3-[4-(difluoromethoxy)phenyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 19329623
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19515173
(E)-1-[3-(difluoromethoxy)phenyl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 6211495
1-[3-(difluoromethoxy)phenyl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 4776214
1-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 63387970
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
[5-bromo-2-(difluoromethoxy)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 5241715
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 171701581) is 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)Oc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ZQQCKABUIGWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5N2O/c21-19(22)28-18-6-4-15(5-7-18)13-26-8-10-27(11-9-26)14-16-2-1-3-17(12-16)20(23,24)25/h1-7,12,19H,8-11,13-14H2.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 400.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171701581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).