4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine

C26H28F8N2O2 — CID 87483514

IUPAC4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine
SMILESFc1cc(COC2CCN(N3CCC(OCc4cccc(C(F)(F)F)c4F)CC3)CC2)ccc1C(F)(F)F
InChIInChI=1S/C26H28F8N2O2/c27-23-14-17(4-5-21(23)25(29,30)31)15-37-19-6-10-35(11-7-19)36-12-8-20(9-13-36)38-16-18-2-1-3-22(24(18)28)26(32,33)34/h1-5,14,19-20H,6-13,15-16H2
InChIKeyQWKYDYOKMQDYAP-UHFFFAOYSA-N
MW552.51 g/mol
LogP6.58
Rot. Bonds7

About 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine

4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine (PubChem CID 87483514) has the molecular formula C26H28F8N2O2 and a molecular weight of 552.51 g/mol. Its IUPAC name is 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine
PubChem CID87483514
Molecular FormulaC26H28F8N2O2
Molecular Weight552.51 g/mol
Exact Mass552.20
IUPAC Name4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine
SMILESFc1cc(COC2CCN(N3CCC(OCc4cccc(C(F)(F)F)c4F)CC3)CC2)ccc1C(F)(F)F
InChIInChI=1S/C26H28F8N2O2/c27-23-14-17(4-5-21(23)25(29,30)31)15-37-19-6-10-35(11-7-19)36-12-8-20(9-13-36)38-16-18-2-1-3-22(24(18)28)26(32,33)34/h1-5,14,19-20H,6-13,15-16H2
InChIKeyQWKYDYOKMQDYAP-UHFFFAOYSA-N
XLogP6.58
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine?
The IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine (CID 87483514) is 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine.
What is the SMILES notation for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine?
The canonical SMILES for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine is Fc1cc(COC2CCN(N3CCC(OCc4cccc(C(F)(F)F)c4F)CC3)CC2)ccc1C(F)(F)F.
What is the InChIKey of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine?
The InChIKey is QWKYDYOKMQDYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F8N2O2/c27-23-14-17(4-5-21(23)25(29,30)31)15-37-19-6-10-35(11-7-19)36-12-8-20(9-13-36)38-16-18-2-1-3-22(24(18)28)26(32,33)34/h1-5,14,19-20H,6-13,15-16H2.
What are the key properties of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine?
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine has a molecular weight of 552.51 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]piperidine is sourced from PubChem (CID 87483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).