3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one

C17H25ClN2O2 — CID 83937750

IUPAC3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCCCOc1cc(C)c(Cl)cc1CCC(=O)N1CCNCC1
InChIInChI=1S/C17H25ClN2O2/c1-3-10-22-16-11-13(2)15(18)12-14(16)4-5-17(21)20-8-6-19-7-9-20/h11-12,19H,3-10H2,1-2H3
InChIKeyUUPQXQQESUUGEQ-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.80
Rot. Bonds6

About 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one

3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83937750) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83937750
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCCCOc1cc(C)c(Cl)cc1CCC(=O)N1CCNCC1
InChIInChI=1S/C17H25ClN2O2/c1-3-10-22-16-11-13(2)15(18)12-14(16)4-5-17(21)20-8-6-19-7-9-20/h11-12,19H,3-10H2,1-2H3
InChIKeyUUPQXQQESUUGEQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
methyl 2-(5-chloro-4-methyl-2-propoxyphenyl)acetate
CID 82553246
(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone
CID 82553818
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
3-(2-chloro-4,5-dimethoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 83943607
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one (CID 83937750) is 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one is CCCOc1cc(C)c(Cl)cc1CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is UUPQXQQESUUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-10-22-16-11-13(2)15(18)12-14(16)4-5-17(21)20-8-6-19-7-9-20/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one?
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 324.85 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83937750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).