tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate

C24H44N2O6 — CID 157234222

IUPACtert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)CCC1=O.CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C12H23NO3.C12H21NO3/c2*1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyAULJFVDWGNMAOP-UHFFFAOYSA-N
MW456.62 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate

tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate (PubChem CID 157234222) has the molecular formula C24H44N2O6 and a molecular weight of 456.62 g/mol. Its IUPAC name is tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
PubChem CID157234222
Molecular FormulaC24H44N2O6
Molecular Weight456.62 g/mol
Exact Mass456.32
IUPAC Nametert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)CCC1=O.CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C12H23NO3.C12H21NO3/c2*1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyAULJFVDWGNMAOP-UHFFFAOYSA-N
XLogP4.24
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-((4-hydroxypiperidin-1-yl)methyl)piperidine-1-carboxylate
CID 135396421
Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
Tert-butyl 4-[2-(3-ethyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11566556
Tert-butyl 4-[2-(4-hydroxy-2-propan-2-ylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11574217
Tert-butyl 4-[2-(2-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11602553
Tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11609811
Tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11625138
Tert-butyl 4-[2-(4-hydroxy-3-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11632069
Tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11645819
Tert-butyl 4-[2-(2-ethyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11660374
Tert-butyl 4-[2-[4-hydroxy-3-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 11668079
Tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11689479

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate (CID 157234222) is tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate is CCC1CN(C(=O)OC(C)(C)C)CCC1=O.CCC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is AULJFVDWGNMAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C12H21NO3/c2*1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3;9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate?
tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 456.62 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 157234222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).