1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate

C16H21NO4 — CID 15289672

IUPAC1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H21NO4/c1-2-20-15(18)14-8-10-17(11-9-14)16(19)21-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXXDBOGXZKIODTO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.60
Rot. Bonds4

About 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate

1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate (PubChem CID 15289672) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate
PubChem CID15289672
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H21NO4/c1-2-20-15(18)14-8-10-17(11-9-14)16(19)21-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXXDBOGXZKIODTO-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate (CID 15289672) is 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate?
The InChIKey is XXDBOGXZKIODTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-20-15(18)14-8-10-17(11-9-14)16(19)21-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate?
1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 4-O-ethyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 15289672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).