1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine

C20H27F2N3O — CID 91923906

IUPAC1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine
SMILESCOCCn1c(C)cnc1CC1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C20H27F2N3O/c1-15-12-23-20(25(15)8-9-26-2)10-16-4-3-7-24(13-16)14-17-5-6-18(21)11-19(17)22/h5-6,11-12,16H,3-4,7-10,13-14H2,1-2H3
InChIKeyGEKCDIBAFUMSSU-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.57
Rot. Bonds7

About 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine

1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine (PubChem CID 91923906) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine
PubChem CID91923906
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine
SMILESCOCCn1c(C)cnc1CC1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C20H27F2N3O/c1-15-12-23-20(25(15)8-9-26-2)10-16-4-3-7-24(13-16)14-17-5-6-18(21)11-19(17)22/h5-6,11-12,16H,3-4,7-10,13-14H2,1-2H3
InChIKeyGEKCDIBAFUMSSU-UHFFFAOYSA-N
XLogP3.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine with MolForge

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Related Compounds

4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
(1-methyl-2-phenyl-1H-imidazol-5-yl)methanol
CID 320833
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
4-[1-(4-Fluoro-phenyl)-2-methyl-1H-imidazol-4-ylethynyl]-2-methyl-pyridine
CID 10085660
4-[2-[1-(3-Fluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10266278
4-[2-[1-(2,4-Difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10470570
1-(3-Morpholinopropyl)-4-[3-(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10525956
4-[3-(3-Ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10544044
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
4-[5-(4-Fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine
CID 10802774

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine (CID 91923906) is 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine is COCCn1c(C)cnc1CC1CCCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine?
The InChIKey is GEKCDIBAFUMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-15-12-23-20(25(15)8-9-26-2)10-16-4-3-7-24(13-16)14-17-5-6-18(21)11-19(17)22/h5-6,11-12,16H,3-4,7-10,13-14H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine?
1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine has a molecular weight of 363.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 91923906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).