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

C₁₄H₂₁N₃O₂ — CID 141376608

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 Name: Tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 141376608
• Molecular Formula: C₁₄H₂₁N₃O₂
• Molecular Weight: 263.34 g/mol
• Exact Mass: 263.16
• IUPAC Name: tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: Cc1nccn1C1=CCN(C(=O)OC(C)(C)C)CC1
• InChI: 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
• InChIKey: XUVGXYZQEJQOEG-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.34
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

Sources

• PubChem CID 141376608 — identifiers, structure, computed properties (public domain)

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