1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride

C19H23ClN2O2 — CID 119576784

IUPAC1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
SMILESCC1CN(C(=O)COc2ccccc2-c2ccccc2)CCN1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15-13-21(12-11-20-15)19(22)14-23-18-10-6-5-9-17(18)16-7-3-2-4-8-16;/h2-10,15,20H,11-14H2,1H3;1H
InChIKeyJGFTZLZOPRLCEF-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.97
Rot. Bonds4

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

1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride (PubChem CID 119576784) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
PubChem CID119576784
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
SMILESCC1CN(C(=O)COc2ccccc2-c2ccccc2)CCN1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15-13-21(12-11-20-15)19(22)14-23-18-10-6-5-9-17(18)16-7-3-2-4-8-16;/h2-10,15,20H,11-14H2,1H3;1H
InChIKeyJGFTZLZOPRLCEF-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperazin-1-yl)-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119579309
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
2-(3-chloro-2-methylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 119580291
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578085
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119577423
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride (CID 119576784) is 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride is CC1CN(C(=O)COc2ccccc2-c2ccccc2)CCN1.Cl.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride?
The InChIKey is JGFTZLZOPRLCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-15-13-21(12-11-20-15)19(22)14-23-18-10-6-5-9-17(18)16-7-3-2-4-8-16;/h2-10,15,20H,11-14H2,1H3;1H.
What are the key properties of 1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride?
1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.97, 4 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)-2-(2-phenylphenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119576784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).