tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate

C19H27N3O2 — CID 76562696

IUPACtert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1c(CC2CCCCN2C(=O)OC(C)(C)C)nc2ccccn12
InChIInChI=1S/C19H27N3O2/c1-14-16(20-17-10-6-8-11-21(14)17)13-15-9-5-7-12-22(15)18(23)24-19(2,3)4/h6,8,10-11,15H,5,7,9,12-13H2,1-4H3
InChIKeyREZHDCVHNBIVFN-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate

tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 76562696) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID76562696
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1c(CC2CCCCN2C(=O)OC(C)(C)C)nc2ccccn12
InChIInChI=1S/C19H27N3O2/c1-14-16(20-17-10-6-8-11-21(14)17)13-15-9-5-7-12-22(15)18(23)24-19(2,3)4/h6,8,10-11,15H,5,7,9,12-13H2,1-4H3
InChIKeyREZHDCVHNBIVFN-UHFFFAOYSA-N
XLogP3.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl 2-[(quinolin-2-ylamino)methyl]piperidine-1-carboxylate
CID 86593668
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261
tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate
CID 77259439
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 86329095
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate (CID 76562696) is tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate is Cc1c(CC2CCCCN2C(=O)OC(C)(C)C)nc2ccccn12.
What is the InChIKey of tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is REZHDCVHNBIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-16(20-17-10-6-8-11-21(14)17)13-15-9-5-7-12-22(15)18(23)24-19(2,3)4/h6,8,10-11,15H,5,7,9,12-13H2,1-4H3.
What are the key properties of tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 76562696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).