1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate

C13H23NO4 — CID 2758812

IUPAC1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMYHJCTUTPIKNAT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.20
Rot. Bonds2

About 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate (PubChem CID 2758812) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate
PubChem CID2758812
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMYHJCTUTPIKNAT-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
tert-Butyl 4-formylpiperidine-1-carboxylate
CID 1514430
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
CID 10987983
1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
CID 15852989
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
4-Ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate
CID 10561371
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate (CID 2758812) is 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate?
The InChIKey is MYHJCTUTPIKNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 2758812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).