Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C₁₈H₃₂N₂O₄ — CID 162411723

About Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate

Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 162411723) has the molecular formula C₁₈H₃₂N₂O₄ and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 162411723
• Molecular Formula: C₁₈H₃₂N₂O₄
• Molecular Weight: 340.46 g/mol
• Exact Mass: 340.24
• IUPAC Name: tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC=C(CC(CCO)N2CCOCC2)CC1
• InChI: InChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)20-7-4-15(5-8-20)14-16(6-11-21)19-9-12-23-13-10-19/h4,16,21H,5-14H2,1-3H3
• InChIKey: HSAZBHKRGQZUQU-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 62.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.46
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 162411723) is tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(CC(CCO)N2CCOCC2)CC1.

What is the InChIKey of Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is HSAZBHKRGQZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)20-7-4-15(5-8-20)14-16(6-11-21)19-9-12-23-13-10-19/h4,16,21H,5-14H2,1-3H3.

What are the key properties of Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?

Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 162411723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162411723 — identifiers, structure, computed properties (public domain)

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