tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone

C23H48N2O5 — CID 145224238

IUPACtert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone
SMILESCC.CC.COC1CCN(C(=O)OC(C)(C)C)CC1.COC1CCN(C(C)=O)CC1
InChIInChI=1S/C11H21NO3.C8H15NO2.2C2H6/c1-11(2,3)15-10(13)12-7-5-9(14-4)6-8-12;1-7(10)9-5-3-8(11-2)4-6-9;2*1-2/h9H,5-8H2,1-4H3;8H,3-6H2,1-2H3;2*1-2H3
InChIKeyLAQYGDZMWWGTPE-UHFFFAOYSA-N
MW432.65 g/mol
LogP4.73
Rot. Bonds2

About tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone

tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 145224238) has the molecular formula C23H48N2O5 and a molecular weight of 432.65 g/mol. Its IUPAC name is tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Nametert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID145224238
Molecular FormulaC23H48N2O5
Molecular Weight432.65 g/mol
Exact Mass432.36
IUPAC Nametert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone
SMILESCC.CC.COC1CCN(C(=O)OC(C)(C)C)CC1.COC1CCN(C(C)=O)CC1
InChIInChI=1S/C11H21NO3.C8H15NO2.2C2H6/c1-11(2,3)15-10(13)12-7-5-9(14-4)6-8-12;1-7(10)9-5-3-8(11-2)4-6-9;2*1-2/h9H,5-8H2,1-4H3;8H,3-6H2,1-2H3;2*1-2H3
InChIKeyLAQYGDZMWWGTPE-UHFFFAOYSA-N
XLogP4.73
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.65
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone (CID 145224238) is tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone is CC.CC.COC1CCN(C(=O)OC(C)(C)C)CC1.COC1CCN(C(C)=O)CC1.
What is the InChIKey of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is LAQYGDZMWWGTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C8H15NO2.2C2H6/c1-11(2,3)15-10(13)12-7-5-9(14-4)6-8-12;1-7(10)9-5-3-8(11-2)4-6-9;2*1-2/h9H,5-8H2,1-4H3;8H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone?
tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 432.65 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 145224238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).