1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine

C24H40N2O — CID 118946962

IUPAC1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine
SMILESCCC1(CC)COC(CCCN2CCN(c3ccccc3C(C)C)CC2)C1
InChIInChI=1S/C24H40N2O/c1-5-24(6-2)18-21(27-19-24)10-9-13-25-14-16-26(17-15-25)23-12-8-7-11-22(23)20(3)4/h7-8,11-12,20-21H,5-6,9-10,13-19H2,1-4H3
InChIKeyFGVIWQUTELCYMZ-UHFFFAOYSA-N
MW372.60 g/mol
LogP5.31
Rot. Bonds8

About 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine

1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine (PubChem CID 118946962) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine
PubChem CID118946962
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine
SMILESCCC1(CC)COC(CCCN2CCN(c3ccccc3C(C)C)CC2)C1
InChIInChI=1S/C24H40N2O/c1-5-24(6-2)18-21(27-19-24)10-9-13-25-14-16-26(17-15-25)23-12-8-7-11-22(23)20(3)4/h7-8,11-12,20-21H,5-6,9-10,13-19H2,1-4H3
InChIKeyFGVIWQUTELCYMZ-UHFFFAOYSA-N
XLogP5.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine (CID 118946962) is 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine is CCC1(CC)COC(CCCN2CCN(c3ccccc3C(C)C)CC2)C1.
What is the InChIKey of 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine?
The InChIKey is FGVIWQUTELCYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-5-24(6-2)18-21(27-19-24)10-9-13-25-14-16-26(17-15-25)23-12-8-7-11-22(23)20(3)4/h7-8,11-12,20-21H,5-6,9-10,13-19H2,1-4H3.
What are the key properties of 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine?
1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine has a molecular weight of 372.60 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-diethyloxolan-2-yl)propyl]-4-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 118946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).