1-(3-ethoxyphenyl)-3,3-dimethylpiperazine

C14H22N2O — CID 64952517

IUPAC1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
SMILESCCOc1cccc(N2CCNC(C)(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-4-17-13-7-5-6-12(10-13)16-9-8-15-14(2,3)11-16/h5-7,10,15H,4,8-9,11H2,1-3H3
InChIKeyWRZJNQKVDBEQLS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine

1-(3-ethoxyphenyl)-3,3-dimethylpiperazine (PubChem CID 64952517) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
PubChem CID64952517
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
SMILESCCOc1cccc(N2CCNC(C)(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-4-17-13-7-5-6-12(10-13)16-9-8-15-14(2,3)11-16/h5-7,10,15H,4,8-9,11H2,1-3H3
InChIKeyWRZJNQKVDBEQLS-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine (CID 64952517) is 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine is CCOc1cccc(N2CCNC(C)(C)C2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine?
The InChIKey is WRZJNQKVDBEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-17-13-7-5-6-12(10-13)16-9-8-15-14(2,3)11-16/h5-7,10,15H,4,8-9,11H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine?
1-(3-ethoxyphenyl)-3,3-dimethylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 64952517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).