2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride

C15H22Cl2N2O2 — CID 119564197

IUPAC2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)COCc2ccccc2Cl)CC(C)N1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11-7-18(8-12(2)17-11)15(19)10-20-9-13-5-3-4-6-14(13)16;/h3-6,11-12,17H,7-10H2,1-2H3;1H
InChIKeyFNGUDYQFFCVXJY-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.49
Rot. Bonds4

About 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride

2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119564197) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119564197
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)COCc2ccccc2Cl)CC(C)N1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11-7-18(8-12(2)17-11)15(19)10-20-9-13-5-3-4-6-14(13)16;/h3-6,11-12,17H,7-10H2,1-2H3;1H
InChIKeyFNGUDYQFFCVXJY-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 124700128
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone
CID 124691784
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-[(2-chlorophenyl)methoxy]-1-[(3R)-3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 124882753
3-(2-bromophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124590235
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124589394
2-(2-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone;hydrochloride
CID 119638440
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride (CID 119564197) is 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride is CC1CN(C(=O)COCc2ccccc2Cl)CC(C)N1.Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is FNGUDYQFFCVXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-11-7-18(8-12(2)17-11)15(19)10-20-9-13-5-3-4-6-14(13)16;/h3-6,11-12,17H,7-10H2,1-2H3;1H.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride?
2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119564197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).