4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride

C21H23ClN2O3 — CID 45265540

IUPAC4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
SMILESCl.O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccccc2)o1
InChIInChI=1S/C21H22N2O3.ClH/c24-21-25-19(20(26-21)17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18;/h1-10H,11-16H2;1H
InChIKeyYKBYZRQMELXZBW-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.69
Rot. Bonds5

About 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride

4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride (PubChem CID 45265540) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride.

Molecular Properties

Compound Name4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
PubChem CID45265540
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
SMILESCl.O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccccc2)o1
InChIInChI=1S/C21H22N2O3.ClH/c24-21-25-19(20(26-21)17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18;/h1-10H,11-16H2;1H
InChIKeyYKBYZRQMELXZBW-UHFFFAOYSA-N
XLogP3.69
TPSA49.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
CID 3055010
4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
CID 45262961
4-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(4-chlorophenyl)-1,3-dioxol-2-one;dihydrochloride
CID 23328973
4-[2-[4-(3,5-dichlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;hydrochloride
CID 3055012
4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
CID 23328989
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;hydrochloride
CID 70593621
1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole
CID 53495037
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride?
The IUPAC name of 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride (CID 45265540) is 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride.
What is the SMILES notation for 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride?
The canonical SMILES for 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride is Cl.O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccccc2)o1.
What is the InChIKey of 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride?
The InChIKey is YKBYZRQMELXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c24-21-25-19(20(26-21)17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18;/h1-10H,11-16H2;1H.
What are the key properties of 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride?
4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride is sourced from PubChem (CID 45265540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).