5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one

C22H34N2O2 — CID 86273133

IUPAC5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccc(C)cc3C)CC2)OC1=O
InChIInChI=1S/C22H34N2O2/c1-5-22(6-2)16-19(26-21(22)25)9-10-23-11-13-24(14-12-23)20-8-7-17(3)15-18(20)4/h7-8,15,19H,5-6,9-14,16H2,1-4H3
InChIKeyFKXIFAHTTDOAHZ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.94
Rot. Bonds6

About 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one

5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one (PubChem CID 86273133) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one.

Molecular Properties

Compound Name5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
PubChem CID86273133
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccc(C)cc3C)CC2)OC1=O
InChIInChI=1S/C22H34N2O2/c1-5-22(6-2)16-19(26-21(22)25)9-10-23-11-13-24(14-12-23)20-8-7-17(3)15-18(20)4/h7-8,15,19H,5-6,9-14,16H2,1-4H3
InChIKeyFKXIFAHTTDOAHZ-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
The IUPAC name of 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one (CID 86273133) is 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one.
What is the SMILES notation for 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
The canonical SMILES for 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one is CCC1(CC)CC(CCN2CCN(c3ccc(C)cc3C)CC2)OC1=O.
What is the InChIKey of 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
The InChIKey is FKXIFAHTTDOAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-5-22(6-2)16-19(26-21(22)25)9-10-23-11-13-24(14-12-23)20-8-7-17(3)15-18(20)4/h7-8,15,19H,5-6,9-14,16H2,1-4H3.
What are the key properties of 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one has a molecular weight of 358.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one is sourced from PubChem (CID 86273133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).