diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate

C19H27NO5 — CID 75011540

IUPACdiethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate
SMILESCCOC(=O)C1CN(C)C(C)C(O)(c2ccccc2)C1C(=O)OCC
InChIInChI=1S/C19H27NO5/c1-5-24-17(21)15-12-20(4)13(3)19(23,14-10-8-7-9-11-14)16(15)18(22)25-6-2/h7-11,13,15-16,23H,5-6,12H2,1-4H3
InChIKeyNBJVEMYEMULLJP-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.57
Rot. Bonds5

About diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate

diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate (PubChem CID 75011540) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate
PubChem CID75011540
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namediethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate
SMILESCCOC(=O)C1CN(C)C(C)C(O)(c2ccccc2)C1C(=O)OCC
InChIInChI=1S/C19H27NO5/c1-5-24-17(21)15-12-20(4)13(3)19(23,14-10-8-7-9-11-14)16(15)18(22)25-6-2/h7-11,13,15-16,23H,5-6,12H2,1-4H3
InChIKeyNBJVEMYEMULLJP-UHFFFAOYSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-diethyl (1S,2S)-3-phenyl-3-piperidin-1-ylcyclopropane-1,2-dicarboxylate
CID 102389050
ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
CID 3738299
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469612
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
ethyl 3-ethenyl-1-methyl-3-phenylpyrrolidine-2-carboxylate
CID 11357399
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
diethyl 2,5-diacetyl-1,6-diphenyl-2,5-diazabicyclo[2.2.2]octane-7,8-dicarboxylate
CID 101079627

Frequently Asked Questions

What is the IUPAC name of diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate?
The IUPAC name of diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate (CID 75011540) is diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate?
The canonical SMILES for diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate is CCOC(=O)C1CN(C)C(C)C(O)(c2ccccc2)C1C(=O)OCC.
What is the InChIKey of diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate?
The InChIKey is NBJVEMYEMULLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-5-24-17(21)15-12-20(4)13(3)19(23,14-10-8-7-9-11-14)16(15)18(22)25-6-2/h7-11,13,15-16,23H,5-6,12H2,1-4H3.
What are the key properties of diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate?
diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate has a molecular weight of 349.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3,4-dicarboxylate is sourced from PubChem (CID 75011540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).