tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate

C14H25NO5 — CID 58280132

IUPACtert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)CC[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-8-7-11(16)9-10(15)5-6-12(17)19-4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyLJJDYJAGQSVFEX-GHMZBOCLSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds3

About tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 58280132) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID58280132
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)CC[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-8-7-11(16)9-10(15)5-6-12(17)19-4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyLJJDYJAGQSVFEX-GHMZBOCLSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate (CID 58280132) is tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate is COC(=O)CC[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is LJJDYJAGQSVFEX-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-8-7-11(16)9-10(15)5-6-12(17)19-4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 58280132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).