ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate

C20H23NO4 — CID 77310302

IUPACethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cccc(-c3ccccc3)c2)C(O)C1
InChIInChI=1S/C20H23NO4/c1-2-25-19(23)21-12-11-20(24,18(22)14-21)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-10,13,18,22,24H,2,11-12,14H2,1H3
InChIKeyOBTRYQLKRUUMNA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.76
Rot. Bonds3

About ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate

ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate (PubChem CID 77310302) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate
PubChem CID77310302
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cccc(-c3ccccc3)c2)C(O)C1
InChIInChI=1S/C20H23NO4/c1-2-25-19(23)21-12-11-20(24,18(22)14-21)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-10,13,18,22,24H,2,11-12,14H2,1H3
InChIKeyOBTRYQLKRUUMNA-UHFFFAOYSA-N
XLogP2.76
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
1-O-tert-butyl 3-O-methyl 4-hydroxy-4-(3-phenylphenyl)piperidine-1,3-dicarboxylate
CID 70323058
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 162638332
benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CID 102421396
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802
3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 163310062
benzyl 3,4-dihydroxy-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 58138456
2-(2-chloro-6-fluorophenyl)-1-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]ethanone
CID 162630901
ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate
CID 68506355

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate (CID 77310302) is ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(O)(c2cccc(-c3ccccc3)c2)C(O)C1.
What is the InChIKey of ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate?
The InChIKey is OBTRYQLKRUUMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-25-19(23)21-12-11-20(24,18(22)14-21)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-10,13,18,22,24H,2,11-12,14H2,1H3.
What are the key properties of ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate?
ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 77310302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).