3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride

C24H33ClN2O2 — CID 22719246

IUPAC3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride
SMILESCCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1.Cl
InChIInChI=1S/C24H32N2O2.ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;/h4-13,20,23H,3,14-19H2,1-2H3;1H
InChIKeyIBILYOQEISPYMM-UHFFFAOYSA-N
MW416.99 g/mol
LogP4.32
Rot. Bonds9

About 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride

3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride (PubChem CID 22719246) has the molecular formula C24H33ClN2O2 and a molecular weight of 416.99 g/mol. Its IUPAC name is 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride
PubChem CID22719246
Molecular FormulaC24H33ClN2O2
Molecular Weight416.99 g/mol
Exact Mass416.22
IUPAC Name3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride
SMILESCCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1.Cl
InChIInChI=1S/C24H32N2O2.ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;/h4-13,20,23H,3,14-19H2,1-2H3;1H
InChIKeyIBILYOQEISPYMM-UHFFFAOYSA-N
XLogP4.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.99
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride (CID 22719246) is 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride is CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1.Cl.
What is the InChIKey of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride?
The InChIKey is IBILYOQEISPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;/h4-13,20,23H,3,14-19H2,1-2H3;1H.
What are the key properties of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride?
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride has a molecular weight of 416.99 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 22719246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).