[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate

C21H25NO2 — CID 688564

IUPAC[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate
SMILESCCN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-/m1/s1
InChIKeyKTHVBAZBLKXIHZ-LJQANCHMSA-N
MW323.44 g/mol
LogP3.85
Rot. Bonds5

About [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate

[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate (PubChem CID 688564) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate
PubChem CID688564
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate
SMILESCCN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-/m1/s1
InChIKeyKTHVBAZBLKXIHZ-LJQANCHMSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Meperidine
CID 4058
Diphenoxylate
CID 13505
Adiphenine
CID 2031
Mepenzolate
CID 4057
Meperidine Hydrochloride
CID 5750
Aprofene
CID 71128
Proadifen Hydrochloride
CID 65341
Pipenzolate
CID 4832
Piperidolate
CID 4839
Mepenzolate Bromide
CID 6461
Proadifen
CID 4910
Piperidolate Hydrochloride
CID 8520

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate?
The IUPAC name of [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate (CID 688564) is [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate?
The canonical SMILES for [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate is CCN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate?
The InChIKey is KTHVBAZBLKXIHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate?
[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate has a molecular weight of 323.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate is sourced from PubChem (CID 688564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).