tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C19H33NO4 — CID 101347156

IUPACtert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1C(O)CCCC1CCCCO1
InChIInChI=1S/C19H33NO4/c1-19(2,3)24-18(22)20-13-6-4-11-16(20)17(21)12-8-10-15-9-5-7-14-23-15/h11,15,17,21H,4-10,12-14H2,1-3H3
InChIKeyICHQHHBXRHXQBH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.00
Rot. Bonds5

About tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101347156) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID101347156
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Nametert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1C(O)CCCC1CCCCO1
InChIInChI=1S/C19H33NO4/c1-19(2,3)24-18(22)20-13-6-4-11-16(20)17(21)12-8-10-15-9-5-7-14-23-15/h11,15,17,21H,4-10,12-14H2,1-3H3
InChIKeyICHQHHBXRHXQBH-UHFFFAOYSA-N
XLogP4.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 101347156) is tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC=C1C(O)CCCC1CCCCO1.
What is the InChIKey of tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is ICHQHHBXRHXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-19(2,3)24-18(22)20-13-6-4-11-16(20)17(21)12-8-10-15-9-5-7-14-23-15/h11,15,17,21H,4-10,12-14H2,1-3H3.
What are the key properties of tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-hydroxy-4-(oxan-2-yl)butyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101347156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).