3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride

C22H36Cl2N2O2 — CID 118659715

IUPAC3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride
SMILESCCC1(CC)CC(CCN2CCN(CCc3ccccc3)CC2)OC1=O.Cl.Cl
InChIInChI=1S/C22H34N2O2.2ClH/c1-3-22(4-2)18-20(26-21(22)25)11-13-24-16-14-23(15-17-24)12-10-19-8-6-5-7-9-19;;/h5-9,20H,3-4,10-18H2,1-2H3;2*1H
InChIKeyFKPDHZHRFMDHRV-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.20
Rot. Bonds8

About 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride

3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride (PubChem CID 118659715) has the molecular formula C22H36Cl2N2O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride.

Molecular Properties

Compound Name3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride
PubChem CID118659715
Molecular FormulaC22H36Cl2N2O2
Molecular Weight431.45 g/mol
Exact Mass430.22
IUPAC Name3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride
SMILESCCC1(CC)CC(CCN2CCN(CCc3ccccc3)CC2)OC1=O.Cl.Cl
InChIInChI=1S/C22H34N2O2.2ClH/c1-3-22(4-2)18-20(26-21(22)25)11-13-24-16-14-23(15-17-24)12-10-19-8-6-5-7-9-19;;/h5-9,20H,3-4,10-18H2,1-2H3;2*1H
InChIKeyFKPDHZHRFMDHRV-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride with MolForge

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Related Compounds

(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
CID 140837611
3,3-diethyl-5-[4-(4-phenylpiperazin-1-yl)butyl]oxolan-2-one
CID 162368702
(5R)-5-[2-[4-(4-aminophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
CID 140837645
(5S)-3,3-diethyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxolan-2-one
CID 140837520
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
(5R)-3,3-diethyl-5-[2-[(2R)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]ethyl]oxolan-2-one
CID 167327841
3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one;hydrochloride
CID 140837655
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(3S)-3-[2-[4-(2-pyrrol-1-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837591
(5R)-3-butyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyloxolan-2-one;propan-2-one
CID 156741393
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride?
The IUPAC name of 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride (CID 118659715) is 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride.
What is the SMILES notation for 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride?
The canonical SMILES for 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride is CCC1(CC)CC(CCN2CCN(CCc3ccccc3)CC2)OC1=O.Cl.Cl.
What is the InChIKey of 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride?
The InChIKey is FKPDHZHRFMDHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.2ClH/c1-3-22(4-2)18-20(26-21(22)25)11-13-24-16-14-23(15-17-24)12-10-19-8-6-5-7-9-19;;/h5-9,20H,3-4,10-18H2,1-2H3;2*1H.
What are the key properties of 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride?
3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride has a molecular weight of 431.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride is sourced from PubChem (CID 118659715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).