2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate

C21H25NO3 — CID 20674

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IUPAC2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChIKeyRZWPJFMNFATBEG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds6

About 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate

2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 20674) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID20674
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChIKeyRZWPJFMNFATBEG-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Trospium chloride
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Mepenzolate
CID 4057
Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium), 3-hydroxy-, chloride, benzilate
CID 107979
Propiverine
CID 4942
Glycopyrronium
CID 3494
Oxyphenonium
CID 5749
Clidinium
CID 2784

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate (CID 20674) is 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate is O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is RZWPJFMNFATBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2.
What are the key properties of 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate?
2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 339.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 20674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).