1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone

C15H22N2O2 — CID 62673685

IUPAC1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCNCC1C
InChIInChI=1S/C15H22N2O2/c1-11-9-16-6-7-17(11)10-14-8-13(12(2)18)4-5-15(14)19-3/h4-5,8,11,16H,6-7,9-10H2,1-3H3
InChIKeyIOFWZSKDSYBGHT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds4

About 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone

1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 62673685) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
PubChem CID62673685
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCNCC1C
InChIInChI=1S/C15H22N2O2/c1-11-9-16-6-7-17(11)10-14-8-13(12(2)18)4-5-15(14)19-3/h4-5,8,11,16H,6-7,9-10H2,1-3H3
InChIKeyIOFWZSKDSYBGHT-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 64980172
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
methyl 4-chloro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoate
CID 120839051
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062368
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
CID 126435859
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
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone (CID 62673685) is 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CCNCC1C.
What is the InChIKey of 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone?
The InChIKey is IOFWZSKDSYBGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-16-6-7-17(11)10-14-8-13(12(2)18)4-5-15(14)19-3/h4-5,8,11,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone?
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 62673685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).