ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate

C22H25NO4 — CID 602993

IUPACethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c1-2-27-20(24)17-13-15-23(16-14-17)21(25)22(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,26H,2,13-16H2,1H3
InChIKeyGNJHCGISEPVPAF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds5

About ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate

ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate (PubChem CID 602993) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate
PubChem CID602993
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c1-2-27-20(24)17-13-15-23(16-14-17)21(25)22(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,26H,2,13-16H2,1H3
InChIKeyGNJHCGISEPVPAF-UHFFFAOYSA-N
XLogP2.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate (CID 602993) is ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate?
The InChIKey is GNJHCGISEPVPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-27-20(24)17-13-15-23(16-14-17)21(25)22(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,26H,2,13-16H2,1H3.
What are the key properties of ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate?
ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-2,2-diphenylacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 602993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).