diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate

C19H19NO5 — CID 139799318

IUPACdiphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)[C@@H]1CC[C@@H](O)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C19H19NO5/c21-14-11-12-17(18(22)24-15-7-3-1-4-8-15)20(13-14)19(23)25-16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2/t14-,17+/m1/s1
InChIKeyDYHSVWQWSNWPRV-PBHICJAKSA-N
MW341.36 g/mol
LogP2.62
Rot. Bonds3

About diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate

diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate (PubChem CID 139799318) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namediphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate
PubChem CID139799318
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namediphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)[C@@H]1CC[C@@H](O)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C19H19NO5/c21-14-11-12-17(18(22)24-15-7-3-1-4-8-15)20(13-14)19(23)25-16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2/t14-,17+/m1/s1
InChIKeyDYHSVWQWSNWPRV-PBHICJAKSA-N
XLogP2.62
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684625
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
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
phenyl 2-[(4-bromophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3112485
phenyl (2S,4S)-2-[(3,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1120674
phenyl (2S,4S)-4-hydroxy-2-(2-methoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 126010367
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
phenyl 4-hydroxy-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 559843
phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126189043

Frequently Asked Questions

What is the IUPAC name of diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate?
The IUPAC name of diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate (CID 139799318) is diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate?
The canonical SMILES for diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate is O=C(Oc1ccccc1)[C@@H]1CC[C@@H](O)CN1C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate?
The InChIKey is DYHSVWQWSNWPRV-PBHICJAKSA-N. The full InChI is InChI=1S/C19H19NO5/c21-14-11-12-17(18(22)24-15-7-3-1-4-8-15)20(13-14)19(23)25-16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2/t14-,17+/m1/s1.
What are the key properties of diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate?
diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 139799318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).