1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one

C15H21ClN2O2 — CID 82267623

IUPAC1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-2-20-12-3-4-13(14(16)11-12)15(19)5-8-18-9-6-17-7-10-18/h3-4,11,17H,2,5-10H2,1H3
InChIKeyBJEUOZFWXRDEBL-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.22
Rot. Bonds6

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

1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82267623) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82267623
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-2-20-12-3-4-13(14(16)11-12)15(19)5-8-18-9-6-17-7-10-18/h3-4,11,17H,2,5-10H2,1H3
InChIKeyBJEUOZFWXRDEBL-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
3-bromo-1-(2-chloro-4-ethoxyphenyl)propan-1-one
CID 134624497
4-chloro-1-(2-chloro-4-ethoxyphenyl)butan-1-one
CID 82267613
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82268072
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
CID 82262863
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82267623) is 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one is CCOc1ccc(C(=O)CCN2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is BJEUOZFWXRDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-20-12-3-4-13(14(16)11-12)15(19)5-8-18-9-6-17-7-10-18/h3-4,11,17H,2,5-10H2,1H3.
What are the key properties of 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82267623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).