1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine

C12H20N2O — CID 143188882

IUPAC1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCOC1=CC(C)CC=C1N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-10-3-4-11(12(9-10)15-2)14-7-5-13-6-8-14/h4,9-10,13H,3,5-8H2,1-2H3
InChIKeyISFFFGBMBLJQLV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.35
Rot. Bonds2

About 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine

1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 143188882) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID143188882
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCOC1=CC(C)CC=C1N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-10-3-4-11(12(9-10)15-2)14-7-5-13-6-8-14/h4,9-10,13H,3,5-8H2,1-2H3
InChIKeyISFFFGBMBLJQLV-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine
CID 144516697
2-(2-chlorophenyl)-10-ethyl-4,11-dimethyl-7-piperazin-1-yl-1-azabicyclo[6.6.0]tetradeca-2,6,8,13-tetraene
CID 123215854
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-(4-methoxy-2,6-dimethylphenyl)piperazine
CID 67282649
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
CID 19956540
1-(4-methoxycyclohexa-1,3-dien-5-yn-1-yl)piperazine
CID 142202939

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 143188882) is 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine is COC1=CC(C)CC=C1N1CCNCC1.
What is the InChIKey of 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is ISFFFGBMBLJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-3-4-11(12(9-10)15-2)14-7-5-13-6-8-14/h4,9-10,13H,3,5-8H2,1-2H3.
What are the key properties of 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 208.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 143188882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).