1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate

C14H25NO5 — CID 69004008

IUPAC1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CCC(C(C)O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO5/c1-9(16)11-7-6-10(12(17)19-5)8-15(11)13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3
InChIKeyWRWFNNHNMHGVKH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.56
Rot. Bonds2

About 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate (PubChem CID 69004008) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate
PubChem CID69004008
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CCC(C(C)O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO5/c1-9(16)11-7-6-10(12(17)19-5)8-15(11)13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3
InChIKeyWRWFNNHNMHGVKH-UHFFFAOYSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate (CID 69004008) is 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate is COC(=O)C1CCC(C(C)O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate?
The InChIKey is WRWFNNHNMHGVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-9(16)11-7-6-10(12(17)19-5)8-15(11)13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 69004008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).