tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane

C15H29NO4 — CID 143797454

IUPACtert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC1CCC(C(=O)CO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO4.C2H6/c1-9-5-6-10(11(16)8-15)14(7-9)12(17)18-13(2,3)4;1-2/h9-10,15H,5-8H2,1-4H3;1-2H3
InChIKeyGRZJGLMXRSVSLI-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane

tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane (PubChem CID 143797454) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane
PubChem CID143797454
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC1CCC(C(=O)CO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO4.C2H6/c1-9-5-6-10(11(16)8-15)14(7-9)12(17)18-13(2,3)4;1-2/h9-10,15H,5-8H2,1-4H3;1-2H3
InChIKeyGRZJGLMXRSVSLI-UHFFFAOYSA-N
XLogP2.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane (CID 143797454) is tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane is CC.CC1CCC(C(=O)CO)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane?
The InChIKey is GRZJGLMXRSVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4.C2H6/c1-9-5-6-10(11(16)8-15)14(7-9)12(17)18-13(2,3)4;1-2/h9-10,15H,5-8H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane?
tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane has a molecular weight of 287.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyacetyl)-5-methylpiperidine-1-carboxylate;ethane is sourced from PubChem (CID 143797454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).