dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate

C14H25NO4 — CID 10945553

IUPACdimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate
SMILESCOC(=O)C(C(=O)OC)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H25NO4/c1-13(2)8-7-9-14(3,4)15(13)10(11(16)18-5)12(17)19-6/h10H,7-9H2,1-6H3
InChIKeyYSOPPOWNHXOSNC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.74
Rot. Bonds3

About dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate

dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate (PubChem CID 10945553) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate
PubChem CID10945553
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namedimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate
SMILESCOC(=O)C(C(=O)OC)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H25NO4/c1-13(2)8-7-9-14(3,4)15(13)10(11(16)18-5)12(17)19-6/h10H,7-9H2,1-6H3
InChIKeyYSOPPOWNHXOSNC-UHFFFAOYSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate?
The IUPAC name of dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate (CID 10945553) is dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate.
What is the SMILES notation for dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate?
The canonical SMILES for dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate is COC(=O)C(C(=O)OC)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate?
The InChIKey is YSOPPOWNHXOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2)8-7-9-14(3,4)15(13)10(11(16)18-5)12(17)19-6/h10H,7-9H2,1-6H3.
What are the key properties of dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate?
dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate is sourced from PubChem (CID 10945553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).