1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone

C20H22Cl2N2O2 — CID 67205514

IUPAC1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2cccc(C(Cl)Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c21-20(22)17-7-4-8-18(13-17)23-9-11-24(12-10-23)19(25)15-26-14-16-5-2-1-3-6-16/h1-8,13,20H,9-12,14-15H2
InChIKeyMHTGYLZBJVEXNV-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 67205514) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID67205514
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2cccc(C(Cl)Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c21-20(22)17-7-4-8-18(13-17)23-9-11-24(12-10-23)19(25)15-26-14-16-5-2-1-3-6-16/h1-8,13,20H,9-12,14-15H2
InChIKeyMHTGYLZBJVEXNV-UHFFFAOYSA-N
XLogP4.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469565
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122343519
1-[4-[(2R)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 92769696
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348298
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one
CID 142761962
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 67205514) is 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(c2cccc(C(Cl)Cl)c2)CC1.
What is the InChIKey of 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is MHTGYLZBJVEXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-20(22)17-7-4-8-18(13-17)23-9-11-24(12-10-23)19(25)15-26-14-16-5-2-1-3-6-16/h1-8,13,20H,9-12,14-15H2.
What are the key properties of 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 393.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 67205514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).