1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate

C15H19NO5 — CID 14081061

IUPAC1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
InChIKeyNLHXFVLVIIBQOM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds3

About 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate (PubChem CID 14081061) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
PubChem CID14081061
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
InChIKeyNLHXFVLVIIBQOM-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-benzyl 2-O-ethyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193062
1-O-benzyl 2-O-ethyl (2R,5R)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193064
benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 118193066
1-O-benzyl 2-O-methyl (2S,5S)-5-methylsulfonyloxypiperidine-1,2-dicarboxylate
CID 11749045
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
1-O-benzyl 3-O-methyl (3R,6S)-6-acetylpiperidine-1,3-dicarboxylate
CID 86727789
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
2-(5-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
CID 118995022

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate (CID 14081061) is 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate is COC(=O)C1CCC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate?
The InChIKey is NLHXFVLVIIBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3.
What are the key properties of 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate?
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 14081061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).