1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

C17H25ClN2O2 — CID 82267669

IUPAC1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-3-10-22-14-4-5-15(16(18)11-14)17(21)13(2)12-20-8-6-19-7-9-20/h4-5,11,13,19H,3,6-10,12H2,1-2H3
InChIKeyHEGTVIKQXZFNJT-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.85
Rot. Bonds7

About 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 82267669) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID82267669
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-3-10-22-14-4-5-15(16(18)11-14)17(21)13(2)12-20-8-6-19-7-9-20/h4-5,11,13,19H,3,6-10,12H2,1-2H3
InChIKeyHEGTVIKQXZFNJT-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264911
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 82267669) is 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is CCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is HEGTVIKQXZFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-10-22-14-4-5-15(16(18)11-14)17(21)13(2)12-20-8-6-19-7-9-20/h4-5,11,13,19H,3,6-10,12H2,1-2H3.
What are the key properties of 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 324.85 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82267669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).