1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine

C14H22N2O2 — CID 64924000

IUPAC1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine
SMILESCOc1ccc(N2CCNC(C)(C)C2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-14(2)10-16(8-7-15-14)12-6-5-11(17-3)9-13(12)18-4/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyFPZIFVAZRYDTSD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine

1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine (PubChem CID 64924000) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine
PubChem CID64924000
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine
SMILESCOc1ccc(N2CCNC(C)(C)C2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-14(2)10-16(8-7-15-14)12-6-5-11(17-3)9-13(12)18-4/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyFPZIFVAZRYDTSD-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine (CID 64924000) is 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine is COc1ccc(N2CCNC(C)(C)C2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine?
The InChIKey is FPZIFVAZRYDTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2)10-16(8-7-15-14)12-6-5-11(17-3)9-13(12)18-4/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine?
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine has a molecular weight of 250.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 64924000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).