dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate

C21H23NO5 — CID 14890237

IUPACdibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H23NO5/c23-18-11-12-22(21(25)27-15-17-9-5-2-6-10-17)19(13-18)20(24)26-14-16-7-3-1-4-8-16/h1-10,18-19,23H,11-15H2/t18-,19+/m1/s1
InChIKeyVLGGGLSFVYMPPQ-MOPGFXCFSA-N
MW369.42 g/mol
LogP2.89
Rot. Bonds5

About dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate

dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate (PubChem CID 14890237) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
PubChem CID14890237
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namedibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H23NO5/c23-18-11-12-22(21(25)27-15-17-9-5-2-6-10-17)19(13-18)20(24)26-14-16-7-3-1-4-8-16/h1-10,18-19,23H,11-15H2/t18-,19+/m1/s1
InChIKeyVLGGGLSFVYMPPQ-MOPGFXCFSA-N
XLogP2.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate?
The IUPAC name of dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate (CID 14890237) is dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate?
The canonical SMILES for dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate is O=C(OCc1ccccc1)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate?
The InChIKey is VLGGGLSFVYMPPQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H23NO5/c23-18-11-12-22(21(25)27-15-17-9-5-2-6-10-17)19(13-18)20(24)26-14-16-7-3-1-4-8-16/h1-10,18-19,23H,11-15H2/t18-,19+/m1/s1.
What are the key properties of dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate?
dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 14890237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).