4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

C21H20F7NO — CID 11669243

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20F7NO/c1-12-6-16(22)2-3-17(12)18-10-29-5-4-19(18)30-11-13-7-14(20(23,24)25)9-15(8-13)21(26,27)28/h2-3,6-9,18-19,29H,4-5,10-11H2,1H3
InChIKeyFVXQIWHXCSXMRI-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.83
Rot. Bonds4

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11669243) has the molecular formula C21H20F7NO and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11669243
Molecular FormulaC21H20F7NO
Molecular Weight435.38 g/mol
Exact Mass435.14
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20F7NO/c1-12-6-16(22)2-3-17(12)18-10-29-5-4-19(18)30-11-13-7-14(20(23,24)25)9-15(8-13)21(26,27)28/h2-3,6-9,18-19,29H,4-5,10-11H2,1H3
InChIKeyFVXQIWHXCSXMRI-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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Related Compounds

(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidine
CID 11596867
4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 69336383
3-(4-fluoro-2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine;2-pyrrolidin-1-ylacetaldehyde
CID 87793867
3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine
CID 11638283
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine
CID 11604554
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 87619241
1-[[(1S,2R)-2-(4-fluorophenyl)cyclohexyl]oxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 143439161
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N,2-dimethylpropanamide
CID 58990758
N-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 87724177
(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylic acid
CID 135353805
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
(3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 86624554

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11669243) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is FVXQIWHXCSXMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F7NO/c1-12-6-16(22)2-3-17(12)18-10-29-5-4-19(18)30-11-13-7-14(20(23,24)25)9-15(8-13)21(26,27)28/h2-3,6-9,18-19,29H,4-5,10-11H2,1H3.
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[[3,5-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-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11669243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).