4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine

C20H18ClF6NO — CID 11604554

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine
SMILESFC(F)(F)c1cc(COC2CCNCC2c2cccc(Cl)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18ClF6NO/c21-16-3-1-2-13(8-16)17-10-28-5-4-18(17)29-11-12-6-14(19(22,23)24)9-15(7-12)20(25,26)27/h1-3,6-9,17-18,28H,4-5,10-11H2
InChIKeyUXOUUJLIROXYGO-UHFFFAOYSA-N
MW437.81 g/mol
LogP6.04
Rot. Bonds4

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine (PubChem CID 11604554) has the molecular formula C20H18ClF6NO and a molecular weight of 437.81 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine
PubChem CID11604554
Molecular FormulaC20H18ClF6NO
Molecular Weight437.81 g/mol
Exact Mass437.10
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine
SMILESFC(F)(F)c1cc(COC2CCNCC2c2cccc(Cl)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18ClF6NO/c21-16-3-1-2-13(8-16)17-10-28-5-4-18(17)29-11-12-6-14(19(22,23)24)9-15(7-12)20(25,26)27/h1-3,6-9,17-18,28H,4-5,10-11H2
InChIKeyUXOUUJLIROXYGO-UHFFFAOYSA-N
XLogP6.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.81
LogP ≤ 56.04
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-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 11669243
(3S,4R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 52917329
1-[[(1S,2R)-2-(4-fluorophenyl)cyclohexyl]oxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 143439161
(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 11568371
(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 11957600
[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 87678551
4-[(3,5-dichlorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
CID 69336383
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289
(3R,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine
CID 86606034
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine (CID 11604554) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine is FC(F)(F)c1cc(COC2CCNCC2c2cccc(Cl)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine?
The InChIKey is UXOUUJLIROXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF6NO/c21-16-3-1-2-13(8-16)17-10-28-5-4-18(17)29-11-12-6-14(19(22,23)24)9-15(7-12)20(25,26)27/h1-3,6-9,17-18,28H,4-5,10-11H2.
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3-chlorophenyl)piperidine has a molecular weight of 437.81 g/mol, XLogP of 6.04, 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-(3-chlorophenyl)piperidine is sourced from PubChem (CID 11604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).