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

C19H24FN3O2 — CID 58270879

IUPACtert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2=NC(c3ccccc3F)=NC2)CC1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-8-13(9-11-23)16-12-21-17(22-16)14-6-4-5-7-15(14)20/h4-7,13H,8-12H2,1-3H3
InChIKeyKFZGARJXKYLMKQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.67
Rot. Bonds2

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

tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate (PubChem CID 58270879) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
PubChem CID58270879
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Nametert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2=NC(c3ccccc3F)=NC2)CC1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-8-13(9-11-23)16-12-21-17(22-16)14-6-4-5-7-15(14)20/h4-7,13H,8-12H2,1-3H3
InChIKeyKFZGARJXKYLMKQ-UHFFFAOYSA-N
XLogP3.67
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-phenyl-5,6-dihydro-4H-pyrimidine-1-carboxylate
CID 71814999
Ethyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 154401267
Tert-butyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 162671028
tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
CID 53328284
tert-butyl 4-[(E)-C-phenyl-N-(trifluoromethyl)carbonimidoyl]piperazine-1-carboxylate
CID 176438508
tert-butyl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270721
tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270831
tert-butyl 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270845
tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate
CID 58312608
tert-butyl 4-[(1R)-1-phenylethyl]imino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 58699960
tert-butyl 4-[(E)-C-(2,5-difluorophenyl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate
CID 59252321
tert-butyl 4-[(E)-N-hydroxy-C-(2,3,5-trifluorophenyl)carbonimidoyl]piperazine-1-carboxylate
CID 59252334

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate (CID 58270879) is tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2=NC(c3ccccc3F)=NC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The InChIKey is KFZGARJXKYLMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-19(2,3)25-18(24)23-10-8-13(9-11-23)16-12-21-17(22-16)14-6-4-5-7-15(14)20/h4-7,13H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).