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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Related Compounds

CID 1346
CID 1346
CID 269722
CID 269722
CID 9899402
CID 9899402
CID 83357
CID 83357
CID 10944016
CID 10944016
CID 410747
CID 410747
CID 2736205
CID 2736205
CID 89972
CID 89972
CID 10354670
CID 10354670
CID 10376185
CID 10376185
CID 10422832
CID 10422832
CID 14479837
CID 14479837

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).