tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate

C20H26FN3O2 — CID 91219511

IUPACtert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H26FN3O2/c1-20(2,3)26-19(25)24-11-5-4-6-16(24)12-18-22-13-17(23-18)14-7-9-15(21)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,22,23)
InChIKeySBPUSEUUFZOOHY-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.55
Rot. Bonds3

About tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate

tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 91219511) has the molecular formula C20H26FN3O2 and a molecular weight of 359.44 g/mol. Its IUPAC name is tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate
PubChem CID91219511
Molecular FormulaC20H26FN3O2
Molecular Weight359.44 g/mol
Exact Mass359.20
IUPAC Nametert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H26FN3O2/c1-20(2,3)26-19(25)24-11-5-4-6-16(24)12-18-22-13-17(23-18)14-7-9-15(21)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,22,23)
InChIKeySBPUSEUUFZOOHY-UHFFFAOYSA-N
XLogP4.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 67158358
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
tert-butyl 2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxylate
CID 66968258
tert-butyl 3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 67158427
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 122687174
tert-butyl 2-[2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 86629006
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 67158401
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl 2-[(4-fluoroanilino)methyl]pyrrolidine-1-carboxylate
CID 103846096
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
tert-butyl 2-[[(4-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxylate
CID 23450132

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate (CID 91219511) is tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1Cc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is SBPUSEUUFZOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-20(2,3)26-19(25)24-11-5-4-6-16(24)12-18-22-13-17(23-18)14-7-9-15(21)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 359.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 91219511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).