1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate

C14H25NO5 — CID 141379871

IUPAC1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate
SMILESCCOC(=O)CCC(=O)OC(C)C1CC(O)CCN1C
InChIInChI=1S/C14H25NO5/c1-4-19-13(17)5-6-14(18)20-10(2)12-9-11(16)7-8-15(12)3/h10-12,16H,4-9H2,1-3H3
InChIKeyAYTRHOFPZLKLQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.72
Rot. Bonds6

About 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate

1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate (PubChem CID 141379871) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate
PubChem CID141379871
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate
SMILESCCOC(=O)CCC(=O)OC(C)C1CC(O)CCN1C
InChIInChI=1S/C14H25NO5/c1-4-19-13(17)5-6-14(18)20-10(2)12-9-11(16)7-8-15(12)3/h10-12,16H,4-9H2,1-3H3
InChIKeyAYTRHOFPZLKLQV-UHFFFAOYSA-N
XLogP0.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate?
The IUPAC name of 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate (CID 141379871) is 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate?
The canonical SMILES for 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate is CCOC(=O)CCC(=O)OC(C)C1CC(O)CCN1C.
What is the InChIKey of 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate?
The InChIKey is AYTRHOFPZLKLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-4-19-13(17)5-6-14(18)20-10(2)12-9-11(16)7-8-15(12)3/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate?
1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate has a molecular weight of 287.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate is sourced from PubChem (CID 141379871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).