1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone

C16H24N2O2 — CID 43218731

IUPAC1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
SMILESCCN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-7-9-18(10-8-17)12-15-11-14(13(2)19)5-6-16(15)20-3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyUSHSJOLPUJIKOV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone

1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone (PubChem CID 43218731) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
PubChem CID43218731
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
SMILESCCN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-7-9-18(10-8-17)12-15-11-14(13(2)19)5-6-16(15)20-3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyUSHSJOLPUJIKOV-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
1-[3-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8691222
1-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8704243
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 9258775
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone
CID 8742968
1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 8590975
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone (CID 43218731) is 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone is CCN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1.
What is the InChIKey of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is USHSJOLPUJIKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-7-9-18(10-8-17)12-15-11-14(13(2)19)5-6-16(15)20-3/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 43218731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).