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

C15H19NO5 — CID 139654801

IUPAC2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)N1CCCCC1(O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-14(18)16-10-6-5-9-15(16,19)13(17)21-11-12-7-3-2-4-8-12/h2-4,7-8,19H,5-6,9-11H2,1H3
InChIKeyZYBGILHACRMIIS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.67
Rot. Bonds3

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

2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate (PubChem CID 139654801) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
PubChem CID139654801
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)N1CCCCC1(O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-14(18)16-10-6-5-9-15(16,19)13(17)21-11-12-7-3-2-4-8-12/h2-4,7-8,19H,5-6,9-11H2,1H3
InChIKeyZYBGILHACRMIIS-UHFFFAOYSA-N
XLogP1.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
CID 46884739
1-O-benzyl 2-O-methyl (2R)-2-[(E)-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 134969660
dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
benzyl 1,2-dihydroxypiperazine-2-carboxylate
CID 141359574
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219

Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate?
The IUPAC name of 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate (CID 139654801) is 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate is COC(=O)N1CCCCC1(O)C(=O)OCc1ccccc1.
What is the InChIKey of 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate?
The InChIKey is ZYBGILHACRMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-14(18)16-10-6-5-9-15(16,19)13(17)21-11-12-7-3-2-4-8-12/h2-4,7-8,19H,5-6,9-11H2,1H3.
What are the key properties of 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate?
2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 139654801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).