1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine

C16H25ClN2O — CID 82265314

IUPAC1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCN1CCNCC1
InChIInChI=1S/C16H25ClN2O/c1-4-20-15-11-12(2)16(17)13(3)14(15)5-8-19-9-6-18-7-10-19/h11,18H,4-10H2,1-3H3
InChIKeyPKAHDXOKWGVTEC-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine

1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine (PubChem CID 82265314) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
PubChem CID82265314
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCN1CCNCC1
InChIInChI=1S/C16H25ClN2O/c1-4-20-15-11-12(2)16(17)13(3)14(15)5-8-19-9-6-18-7-10-19/h11,18H,4-10H2,1-3H3
InChIKeyPKAHDXOKWGVTEC-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
CID 170870509
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
5-chloro-4,6-dimethyl-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097785

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine (CID 82265314) is 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine is CCOc1cc(C)c(Cl)c(C)c1CCN1CCNCC1.
What is the InChIKey of 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine?
The InChIKey is PKAHDXOKWGVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-20-15-11-12(2)16(17)13(3)14(15)5-8-19-9-6-18-7-10-19/h11,18H,4-10H2,1-3H3.
What are the key properties of 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine?
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine has a molecular weight of 296.84 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 82265314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).