2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C14H21ClN2O2 — CID 119402873

IUPAC2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(C)C(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11(12-3-5-13(18-2)6-4-12)14(17)16-9-7-15-8-10-16;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeySESXKRAQCAQDFD-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.65
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride

2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 119402873) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID119402873
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(C)C(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11(12-3-5-13(18-2)6-4-12)14(17)16-9-7-15-8-10-16;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeySESXKRAQCAQDFD-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996072
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110
1-[4-[(2S)-2-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 95616188
2-(4-methoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120824198
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
CID 120738181
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
S-[(4-methoxyphenyl)methyl] piperazine-1-carbothioate;hydrochloride
CID 87713842
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
CID 82509276

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 119402873) is 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride is COc1ccc(C(C)C(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is SESXKRAQCAQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-11(12-3-5-13(18-2)6-4-12)14(17)16-9-7-15-8-10-16;/h3-6,11,15H,7-10H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 119402873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).