1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one

C14H20N2O2 — CID 82064831

IUPAC1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1ccccc1C(=O)CCN1CCNCC1
InChIInChI=1S/C14H20N2O2/c1-18-14-5-3-2-4-12(14)13(17)6-9-16-10-7-15-8-11-16/h2-5,15H,6-11H2,1H3
InChIKeyBBPUHGKCIVVSFR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one

1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82064831) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82064831
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1ccccc1C(=O)CCN1CCNCC1
InChIInChI=1S/C14H20N2O2/c1-18-14-5-3-2-4-12(14)13(17)6-9-16-10-7-15-8-11-16/h2-5,15H,6-11H2,1H3
InChIKeyBBPUHGKCIVVSFR-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82268072
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82064831) is 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one is COc1ccccc1C(=O)CCN1CCNCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is BBPUHGKCIVVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14-5-3-2-4-12(14)13(17)6-9-16-10-7-15-8-11-16/h2-5,15H,6-11H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82064831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).