(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride

C21H26ClNO2 — CID 8520

IUPAC(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride
SMILESCCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H25NO2.ClH/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;1H
InChIKeyRBGWCEWDAHDPEH-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.27
Rot. Bonds5

About (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride

(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride (PubChem CID 8520) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride
PubChem CID8520
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride
SMILESCCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H25NO2.ClH/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;1H
InChIKeyRBGWCEWDAHDPEH-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride?
The IUPAC name of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride (CID 8520) is (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride is CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl.
What is the InChIKey of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride?
The InChIKey is RBGWCEWDAHDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.ClH/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;1H.
What are the key properties of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride?
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 8520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).