tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate

C19H24F3N3O2 — CID 77259439

IUPACtert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C19H24F3N3O2/c1-18(2,3)27-17(26)25-9-5-4-6-15(25)10-14-12-24-11-13(19(20,21)22)7-8-16(24)23-14/h7-8,11-12,15H,4-6,9-10H2,1-3H3
InChIKeyVTVFYDFBMXPBQI-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.69
Rot. Bonds2

About tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate

tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 77259439) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate
PubChem CID77259439
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Nametert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C19H24F3N3O2/c1-18(2,3)27-17(26)25-9-5-4-6-15(25)10-14-12-24-11-13(19(20,21)22)7-8-16(24)23-14/h7-8,11-12,15H,4-6,9-10H2,1-3H3
InChIKeyVTVFYDFBMXPBQI-UHFFFAOYSA-N
XLogP4.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
CID 58477937
tert-butyl (2S)-2-[[4-(trifluoromethyl)anilino]methyl]piperidine-1-carboxylate
CID 94001655
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 50905469
tert-butyl 2-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxylate
CID 57355399
tert-butyl (2S)-2-[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]piperidine-1-carboxylate
CID 58563799
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606
tert-butyl (2R)-2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001586
tert-butyl 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001590

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate (CID 77259439) is tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1Cc1cn2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is VTVFYDFBMXPBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-18(2,3)27-17(26)25-9-5-4-6-15(25)10-14-12-24-11-13(19(20,21)22)7-8-16(24)23-14/h7-8,11-12,15H,4-6,9-10H2,1-3H3.
What are the key properties of tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 77259439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).