4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine

C24H27F6NO — CID 10837611

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C24H27F6NO/c1-17(2)31-10-8-22(9-11-31,19-6-4-3-5-7-19)16-32-15-18-12-20(23(25,26)27)14-21(13-18)24(28,29)30/h3-7,12-14,17H,8-11,15-16H2,1-2H3
InChIKeyOTBVEXMPXATWMB-UHFFFAOYSA-N
MW459.47 g/mol
LogP6.68
Rot. Bonds6

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine (PubChem CID 10837611) has the molecular formula C24H27F6NO and a molecular weight of 459.47 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine
PubChem CID10837611
Molecular FormulaC24H27F6NO
Molecular Weight459.47 g/mol
Exact Mass459.20
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C24H27F6NO/c1-17(2)31-10-8-22(9-11-31,19-6-4-3-5-7-19)16-32-15-18-12-20(23(25,26)27)14-21(13-18)24(28,29)30/h3-7,12-14,17H,8-11,15-16H2,1-2H3
InChIKeyOTBVEXMPXATWMB-UHFFFAOYSA-N
XLogP6.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3103
Oxaflozane
CID 432824
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CID 10091491
3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 3929516
2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
CID 9892852
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanamine
CID 10216430
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-methyl-4-phenyl-piperidine
CID 10502796
(2R,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
CID 10553959
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-3-dimethylamino-propan-1-one
CID 11800025
3'-(((1-Methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 24785717
4-[3-[(4-Phenyl-1-propan-2-ylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993465

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine (CID 10837611) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine is CC(C)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine?
The InChIKey is OTBVEXMPXATWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6NO/c1-17(2)31-10-8-22(9-11-31,19-6-4-3-5-7-19)16-32-15-18-12-20(23(25,26)27)14-21(13-18)24(28,29)30/h3-7,12-14,17H,8-11,15-16H2,1-2H3.
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine has a molecular weight of 459.47 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 10837611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).