1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine

C36H60N6 — CID 159647201

IUPAC1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1=CC=C(N2CCN(C)CC2)CC1.CC1=CCCC(N2CCN(C)CC2)=C1.CC1=CCCC=C1N1CCN(C)CC1
InChIInChI=1S/3C12H20N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-4-3-5-12(10-11)14-8-6-13(2)7-9-14;1-11-5-3-4-6-12(11)14-9-7-13(2)8-10-14/h3,5H,4,6-10H2,1-2H3;4,10H,3,5-9H2,1-2H3;5-6H,3-4,7-10H2,1-2H3
InChIKeyMRCKCDLLPBQJJR-UHFFFAOYSA-N
MW576.92 g/mol
LogP5.57
Rot. Bonds3

About 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine

1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 159647201) has the molecular formula C36H60N6 and a molecular weight of 576.92 g/mol. Its IUPAC name is 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID159647201
Molecular FormulaC36H60N6
Molecular Weight576.92 g/mol
Exact Mass576.49
IUPAC Name1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1=CC=C(N2CCN(C)CC2)CC1.CC1=CCCC(N2CCN(C)CC2)=C1.CC1=CCCC=C1N1CCN(C)CC1
InChIInChI=1S/3C12H20N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-4-3-5-12(10-11)14-8-6-13(2)7-9-14;1-11-5-3-4-6-12(11)14-9-7-13(2)8-10-14/h3,5H,4,6-10H2,1-2H3;4,10H,3,5-9H2,1-2H3;5-6H,3-4,7-10H2,1-2H3
InChIKeyMRCKCDLLPBQJJR-UHFFFAOYSA-N
XLogP5.57
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.92
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine with MolForge

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Related Compounds

1-[5-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]ethanone
CID 143263427
1-(4-methylcyclohexa-1,3-dien-1-yl)-4-(4-methylphenyl)piperazine
CID 143717943
1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole
CID 89192258
1-cyclohexa-1,3-dien-1-yl-4-methyl-1,4-diazepane
CID 129125449
ethane;(3R)-N-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidin-3-amine
CID 142390414
4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2,4-triazole
CID 143130125
1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 143003416
1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 143588276
1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
CID 143478856
(3-methylcyclohexa-1,3-dien-1-yl)silane
CID 173485389
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 10015477
1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 155476257

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 159647201) is 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine is CC1=CC=C(N2CCN(C)CC2)CC1.CC1=CCCC(N2CCN(C)CC2)=C1.CC1=CCCC=C1N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is MRCKCDLLPBQJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H20N2/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-4-3-5-12(10-11)14-8-6-13(2)7-9-14;1-11-5-3-4-6-12(11)14-9-7-13(2)8-10-14/h3,5H,4,6-10H2,1-2H3;4,10H,3,5-9H2,1-2H3;5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 576.92 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine;1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 159647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).