ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate

C21H25NO2 — CID 54107897

IUPACethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
SMILESCCOC(=O)C(c1ccccc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)20(17-11-5-3-6-12-17)18-13-7-8-14-19(18)22-15-9-4-10-16-22/h3,5-8,11-14,20H,2,4,9-10,15-16H2,1H3
InChIKeyNFAXZXBZFCDOMV-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.37
Rot. Bonds5

About ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate

ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate (PubChem CID 54107897) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
PubChem CID54107897
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nameethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
SMILESCCOC(=O)C(c1ccccc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)20(17-11-5-3-6-12-17)18-13-7-8-14-19(18)22-15-9-4-10-16-22/h3,5-8,11-14,20H,2,4,9-10,15-16H2,1H3
InChIKeyNFAXZXBZFCDOMV-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-3-(2-piperidin-1-ylphenyl)propanamide
CID 140821391
3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
CID 117374279
ethyl 4-[1-amino-1-oxo-3-phenyl-3-(2-pyrrolidin-1-ylphenyl)propan-2-yl]benzoate
CID 70418372
4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]-N-methylbenzamide
CID 54482045
ethyl 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)pentan-2-yl]benzoate
CID 57253185
1-[(1S)-1-phenylethyl]-3-[(1S)-1-(2-piperidin-1-ylphenyl)butyl]urea
CID 10595902
sodium 4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzoate
CID 70417455
ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate
CID 70417081
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
ethyl 3-[4-[2-oxo-2-[[phenyl-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]phenyl]prop-2-enoate
CID 54215349
N-butyl-4-[2-(ethylamino)-2-oxo-1-(2-piperidin-1-ylphenyl)ethyl]benzamide
CID 54471905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate?
The IUPAC name of ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate (CID 54107897) is ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate?
The canonical SMILES for ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate is CCOC(=O)C(c1ccccc1)c1ccccc1N1CCCCC1.
What is the InChIKey of ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate?
The InChIKey is NFAXZXBZFCDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-24-21(23)20(17-11-5-3-6-12-17)18-13-7-8-14-19(18)22-15-9-4-10-16-22/h3,5-8,11-14,20H,2,4,9-10,15-16H2,1H3.
What are the key properties of ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate?
ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate has a molecular weight of 323.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate is sourced from PubChem (CID 54107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).