1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate

C14H25NO4 — CID 102412549

IUPAC1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate
SMILESCCOC(=O)C(C)(C)C(C(=O)OC)N1CCCCC1
InChIInChI=1S/C14H25NO4/c1-5-19-13(17)14(2,3)11(12(16)18-4)15-9-7-6-8-10-15/h11H,5-10H2,1-4H3
InChIKeyRKIULZNMBGDYRR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds5

About 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate

1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate (PubChem CID 102412549) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate
PubChem CID102412549
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate
SMILESCCOC(=O)C(C)(C)C(C(=O)OC)N1CCCCC1
InChIInChI=1S/C14H25NO4/c1-5-19-13(17)14(2,3)11(12(16)18-4)15-9-7-6-8-10-15/h11H,5-10H2,1-4H3
InChIKeyRKIULZNMBGDYRR-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate?
The IUPAC name of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate (CID 102412549) is 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate?
The canonical SMILES for 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate is CCOC(=O)C(C)(C)C(C(=O)OC)N1CCCCC1.
What is the InChIKey of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate?
The InChIKey is RKIULZNMBGDYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-19-13(17)14(2,3)11(12(16)18-4)15-9-7-6-8-10-15/h11H,5-10H2,1-4H3.
What are the key properties of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate?
1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate is sourced from PubChem (CID 102412549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).