1-(4-methoxy-2,6-dimethylphenyl)piperazine

C13H20N2O — CID 67282649

IUPAC1-(4-methoxy-2,6-dimethylphenyl)piperazine
SMILESCOc1cc(C)c(N2CCNCC2)c(C)c1
InChIInChI=1S/C13H20N2O/c1-10-8-12(16-3)9-11(2)13(10)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyPOIQYZLIHAVGDH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-methoxy-2,6-dimethylphenyl)piperazine

1-(4-methoxy-2,6-dimethylphenyl)piperazine (PubChem CID 67282649) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)piperazine
PubChem CID67282649
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)piperazine
SMILESCOc1cc(C)c(N2CCNCC2)c(C)c1
InChIInChI=1S/C13H20N2O/c1-10-8-12(16-3)9-11(2)13(10)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyPOIQYZLIHAVGDH-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-methyl-2-piperazin-1-ylbenzonitrile
CID 68693492
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
3-methoxy-5-piperazin-1-ylbenzonitrile
CID 139600905
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83940086
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
1-(2-ethyl-4,6-dimethylphenyl)piperazine
CID 59119296
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)piperazine (CID 67282649) is 1-(4-methoxy-2,6-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)piperazine is COc1cc(C)c(N2CCNCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)piperazine?
The InChIKey is POIQYZLIHAVGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-12(16-3)9-11(2)13(10)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)piperazine?
1-(4-methoxy-2,6-dimethylphenyl)piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)piperazine is sourced from PubChem (CID 67282649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).