1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone

C16H24N2O2 — CID 64980172

IUPAC1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CC(C)NCC1C
InChIInChI=1S/C16H24N2O2/c1-11-9-18(12(2)8-17-11)10-15-7-14(13(3)19)5-6-16(15)20-4/h5-7,11-12,17H,8-10H2,1-4H3
InChIKeyQWUNVPHALLBIFX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone

1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone (PubChem CID 64980172) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
PubChem CID64980172
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CC(C)NCC1C
InChIInChI=1S/C16H24N2O2/c1-11-9-18(12(2)8-17-11)10-15-7-14(13(3)19)5-6-16(15)20-4/h5-7,11-12,17H,8-10H2,1-4H3
InChIKeyQWUNVPHALLBIFX-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062368
1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 83136835
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
CID 64846488
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone (CID 64980172) is 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CC(C)NCC1C.
What is the InChIKey of 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is QWUNVPHALLBIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-18(12(2)8-17-11)10-15-7-14(13(3)19)5-6-16(15)20-4/h5-7,11-12,17H,8-10H2,1-4H3.
What are the key properties of 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 64980172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).