1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride

C20H25ClN2O2 — CID 119579309

IUPAC1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCOc2ccccc2-c2ccccc2)CCN1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-16-15-22(13-12-21-16)20(23)11-14-24-19-10-6-5-9-18(19)17-7-3-2-4-8-17;/h2-10,16,21H,11-15H2,1H3;1H
InChIKeyFALLKSFLCLGYLQ-UHFFFAOYSA-N
MW360.88 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride

1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride (PubChem CID 119579309) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride
PubChem CID119579309
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC Name1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCOc2ccccc2-c2ccccc2)CCN1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-16-15-22(13-12-21-16)20(23)11-14-24-19-10-6-5-9-18(19)17-7-3-2-4-8-17;/h2-10,16,21H,11-15H2,1H3;1H
InChIKeyFALLKSFLCLGYLQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
CID 119576784
3-(2,4-dimethylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578824
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119397554
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119519550
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
1-(3-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 119577753
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578085
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride (CID 119579309) is 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride is CC1CN(C(=O)CCOc2ccccc2-c2ccccc2)CCN1.Cl.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride?
The InChIKey is FALLKSFLCLGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-16-15-22(13-12-21-16)20(23)11-14-24-19-10-6-5-9-18(19)17-7-3-2-4-8-17;/h2-10,16,21H,11-15H2,1H3;1H.
What are the key properties of 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride?
1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119579309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).