1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane

C13H24N2 — CID 143478856

IUPAC1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C11H18N2.C2H6/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-2/h3,5-6H,2,4,7-10H2,1H3;1-2H3
InChIKeyHQWVAIHZJJZYQH-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.49
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane

1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane (PubChem CID 143478856) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
PubChem CID143478856
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C11H18N2.C2H6/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-2/h3,5-6H,2,4,7-10H2,1H3;1-2H3
InChIKeyHQWVAIHZJJZYQH-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol
CID 173071004
1-cyclobutyl-4-cyclohexa-1,5-dien-1-ylpiperazine
CID 173070940
1-(5-chlorocyclohepta-1,6-dien-1-yl)-4-methyl-1,4-diazepane;ethane
CID 143065016
1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane
CID 170605103
1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 155476257
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 173070843
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
CID 143054399
ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
CID 91221169
1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 143588276
1,4-dimethylpiperazine;ethane
CID 91292414
3-[4-[(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)methyl]phenyl]-N-hydroxy-2-methylpropanamide
CID 143411638
1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine
CID 173163190

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane (CID 143478856) is 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane is CC.CN1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane?
The InChIKey is HQWVAIHZJJZYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-2/h3,5-6H,2,4,7-10H2,1H3;1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane?
1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane has a molecular weight of 208.35 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane is sourced from PubChem (CID 143478856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).