5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride

C22H26ClNO3 — CID 28931

IUPAC5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride
SMILESCl.O=C1OC(CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3.ClH/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H
InChIKeyJXNQXJVDHXGEPU-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.13
Rot. Bonds5

About 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride

5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride (PubChem CID 28931) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride.

Molecular Properties

Compound Name5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride
PubChem CID28931
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride
SMILESCl.O=C1OC(CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3.ClH/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H
InChIKeyJXNQXJVDHXGEPU-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride?
The IUPAC name of 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride (CID 28931) is 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride.
What is the SMILES notation for 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride?
The canonical SMILES for 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride is Cl.O=C1OC(CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride?
The InChIKey is JXNQXJVDHXGEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3.ClH/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H.
What are the key properties of 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride?
5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride is sourced from PubChem (CID 28931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).