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

C18H32N2O4 — CID 162411723

IUPACtert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(CC(CCO)N2CCOCC2)CC1
InChIInChI=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
InChIKeyHSAZBHKRGQZUQU-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.03
Rot. Bonds5

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 Nametert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID162411723
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 4-(4-hydroxy-2-morpholin-4-ylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(CC(CCO)N2CCOCC2)CC1
InChIInChI=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
InChIKeyHSAZBHKRGQZUQU-UHFFFAOYSA-N
XLogP2.03
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).