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

C13H23NO4 — CID 135016028

IUPAC1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate
SMILESCCOC(=O)C(C)C(C(=O)OC)N1CCCCC1
InChIInChI=1S/C13H23NO4/c1-4-18-12(15)10(2)11(13(16)17-3)14-8-6-5-7-9-14/h10-11H,4-9H2,1-3H3
InChIKeyDDMBLWWCCMMPTK-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.21
Rot. Bonds5

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

1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate (PubChem CID 135016028) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate
PubChem CID135016028
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate
SMILESCCOC(=O)C(C)C(C(=O)OC)N1CCCCC1
InChIInChI=1S/C13H23NO4/c1-4-18-12(15)10(2)11(13(16)17-3)14-8-6-5-7-9-14/h10-11H,4-9H2,1-3H3
InChIKeyDDMBLWWCCMMPTK-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
Triethyl 2-morpholino-1,1,2-ethanetricarboxylate
CID 3812720
2-Piperidin-1-yl-succinic acid dipentyl ester
CID 9549527
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
Dipentyl 2-piperidin-1-ylbutanedioate
CID 3094195
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Maleic acid + morpholine
CID 7060825
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
CID 74936058
1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate
CID 102412548
1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate
CID 102412549
4-O-ethyl 1-O-methyl 2-piperidin-1-ylbutanedioate
CID 121001707
4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate
CID 135016107

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate?
The IUPAC name of 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate (CID 135016028) is 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate?
The canonical SMILES for 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate is CCOC(=O)C(C)C(C(=O)OC)N1CCCCC1.
What is the InChIKey of 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate?
The InChIKey is DDMBLWWCCMMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-18-12(15)10(2)11(13(16)17-3)14-8-6-5-7-9-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate?
1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate has a molecular weight of 257.33 g/mol, XLogP of 1.21, 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-methyl-3-piperidin-1-ylbutanedioate is sourced from PubChem (CID 135016028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).