tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C14H21N3O2 — CID 141376608

IUPACtert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nccn1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H21N3O2/c1-11-15-7-10-17(11)12-5-8-16(9-6-12)13(18)19-14(2,3)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeyXUVGXYZQEJQOEG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 141376608) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID141376608
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nccn1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H21N3O2/c1-11-15-7-10-17(11)12-5-8-16(9-6-12)13(18)19-14(2,3)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeyXUVGXYZQEJQOEG-UHFFFAOYSA-N
XLogP2.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpropanamide
CID 46985658
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CID 72126138
Tert-butyl 4-(2-methyl-1h-imidazol-1-yl)piperidine-1-carboxylate
CID 23084047
Tert-butyl 2-propan-2-ylimidazole-1-carboxylate
CID 23385843
tert-Butyl 4-((1-methyl-1H-imidazol-2-yl)methyl)piperazine-1-carboxylate
CID 46867018
tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59443999
tert-butyl 4-[(Z)-2-(1-methylimidazol-2-yl)ethenyl]piperidine-1-carboxylate
CID 66853066
Tert-butyl 4-[2-(1-methylimidazol-2-yl)ethenyl]piperidine-1-carboxylate
CID 66853067
4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 68569856
tert-butyl 4-(1-methyl-1H-imidazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 68598207
tert-butyl 4-(1H-imidazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 69053296
tert-butyl N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]carbamate
CID 69325236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 141376608) is tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1nccn1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is XUVGXYZQEJQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-15-7-10-17(11)12-5-8-16(9-6-12)13(18)19-14(2,3)4/h5,7,10H,6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 141376608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).