4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

C21H20F7NO — CID 11532162

IUPAC4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C21H20F7NO/c1-12-8-15(22)4-5-16(12)17-10-29-7-6-19(17)30-11-13-2-3-14(20(23,24)25)9-18(13)21(26,27)28/h2-5,8-9,17,19,29H,6-7,10-11H2,1H3
InChIKeyXXBOGUJDFBTNEY-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.83
Rot. Bonds4

About 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11532162) has the molecular formula C21H20F7NO and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11532162
Molecular FormulaC21H20F7NO
Molecular Weight435.38 g/mol
Exact Mass435.14
IUPAC Name4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C21H20F7NO/c1-12-8-15(22)4-5-16(12)17-10-29-7-6-19(17)30-11-13-2-3-14(20(23,24)25)9-18(13)21(26,27)28/h2-5,8-9,17,19,29H,6-7,10-11H2,1H3
InChIKeyXXBOGUJDFBTNEY-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11532162) is 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is XXBOGUJDFBTNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F7NO/c1-12-8-15(22)4-5-16(12)17-10-29-7-6-19(17)30-11-13-2-3-14(20(23,24)25)9-18(13)21(26,27)28/h2-5,8-9,17,19,29H,6-7,10-11H2,1H3.
What are the key properties of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 435.38 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11532162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).