1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine

C25H28F3N3O3 — CID 70079103

IUPAC1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
SMILESCOc1cccc(CN2CCC(COc3nc(C(F)(F)F)cn3-c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C25H28F3N3O3/c1-32-21-7-3-5-19(13-21)15-30-11-9-18(10-12-30)17-34-24-29-23(25(26,27)28)16-31(24)20-6-4-8-22(14-20)33-2/h3-8,13-14,16,18H,9-12,15,17H2,1-2H3
InChIKeyPZVKCUPUQFVLNM-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.20
Rot. Bonds8

About 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine

1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine (PubChem CID 70079103) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
PubChem CID70079103
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
SMILESCOc1cccc(CN2CCC(COc3nc(C(F)(F)F)cn3-c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C25H28F3N3O3/c1-32-21-7-3-5-19(13-21)15-30-11-9-18(10-12-30)17-34-24-29-23(25(26,27)28)16-31(24)20-6-4-8-22(14-20)33-2/h3-8,13-14,16,18H,9-12,15,17H2,1-2H3
InChIKeyPZVKCUPUQFVLNM-UHFFFAOYSA-N
XLogP5.20
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734725
1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 42691442
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328544
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
5-bromo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328758
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine (CID 70079103) is 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine is COc1cccc(CN2CCC(COc3nc(C(F)(F)F)cn3-c3cccc(OC)c3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
The InChIKey is PZVKCUPUQFVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-32-21-7-3-5-19(13-21)15-30-11-9-18(10-12-30)17-34-24-29-23(25(26,27)28)16-31(24)20-6-4-8-22(14-20)33-2/h3-8,13-14,16,18H,9-12,15,17H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine has a molecular weight of 475.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine is sourced from PubChem (CID 70079103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).