1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine

C24H30F3NO4 — CID 54591726

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
SMILESCOc1ccc(CCN2CCC(CCOc3ccc(OC(F)(F)F)cc3)CC2)cc1OC
InChIInChI=1S/C24H30F3NO4/c1-29-22-8-3-19(17-23(22)30-2)11-15-28-13-9-18(10-14-28)12-16-31-20-4-6-21(7-5-20)32-24(25,26)27/h3-8,17-18H,9-16H2,1-2H3
InChIKeyLMDZFOSNAGEVGC-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.33
Rot. Bonds10

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine (PubChem CID 54591726) has the molecular formula C24H30F3NO4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
PubChem CID54591726
Molecular FormulaC24H30F3NO4
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
SMILESCOc1ccc(CCN2CCC(CCOc3ccc(OC(F)(F)F)cc3)CC2)cc1OC
InChIInChI=1S/C24H30F3NO4/c1-29-22-8-3-19(17-23(22)30-2)11-15-28-13-9-18(10-14-28)12-16-31-20-4-6-21(7-5-20)32-24(25,26)27/h3-8,17-18H,9-16H2,1-2H3
InChIKeyLMDZFOSNAGEVGC-UHFFFAOYSA-N
XLogP5.33
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile
CID 173113381
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol
CID 70830462
3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
CID 66996313
1-[2-(4-chloro-3-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;1-[2-(3-chlorophenyl)ethyl]-4-(2-phenoxyethyl)piperidine;1-[2-(3-methylphenyl)ethyl]-4-(2-phenoxyethyl)piperidine
CID 87632669
1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 67298811
4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
CID 146312573
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
CID 69345184
1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
CID 166938631
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine (CID 54591726) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine is COc1ccc(CCN2CCC(CCOc3ccc(OC(F)(F)F)cc3)CC2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
The InChIKey is LMDZFOSNAGEVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3NO4/c1-29-22-8-3-19(17-23(22)30-2)11-15-28-13-9-18(10-14-28)12-16-31-20-4-6-21(7-5-20)32-24(25,26)27/h3-8,17-18H,9-16H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine has a molecular weight of 453.50 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine is sourced from PubChem (CID 54591726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).