1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate

C15H19NO4 — CID 11011289

IUPAC1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-19-14(17)13-9-5-6-10-16(13)15(18)20-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyPKYPKDMELOKLKL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.35
Rot. Bonds3

About 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate (PubChem CID 11011289) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate
PubChem CID11011289
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-19-14(17)13-9-5-6-10-16(13)15(18)20-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyPKYPKDMELOKLKL-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate (CID 11011289) is 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate is COC(=O)C1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate?
The InChIKey is PKYPKDMELOKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-14(17)13-9-5-6-10-16(13)15(18)20-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3.
What are the key properties of 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate?
1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-methyl piperidine-1,2-dicarboxylate is sourced from PubChem (CID 11011289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).