1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine

C13H20N2 — CID 155476257

IUPAC1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine
SMILESCC1=CCC=C(N2CCN(C)CC2)C=C1
InChIInChI=1S/C13H20N2/c1-12-4-3-5-13(7-6-12)15-10-8-14(2)9-11-15/h4-7H,3,8-11H2,1-2H3
InChIKeyXLAXCKFOSUPIIS-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.02
Rot. Bonds1

About 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine

1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine (PubChem CID 155476257) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine
PubChem CID155476257
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine
SMILESCC1=CCC=C(N2CCN(C)CC2)C=C1
InChIInChI=1S/C13H20N2/c1-12-4-3-5-13(7-6-12)15-10-8-14(2)9-11-15/h4-7H,3,8-11H2,1-2H3
InChIKeyXLAXCKFOSUPIIS-UHFFFAOYSA-N
XLogP2.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
CID 143478856
ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
CID 91221169
N-methyl-4-(4-methylpiperazin-1-yl)-N-propylcyclohexa-2,4-dien-1-amine
CID 167253998
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-methyl-1H-pyrazol-3-yl)piperazine
CID 130659142
1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine
CID 154457178
1,2,6-trimethyl-4H-pyridine
CID 118906962
1,4-dimethylpiperazine;ethane
CID 91292414
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
CID 177032628
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine (CID 155476257) is 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine is CC1=CCC=C(N2CCN(C)CC2)C=C1.
What is the InChIKey of 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
The InChIKey is XLAXCKFOSUPIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-12-4-3-5-13(7-6-12)15-10-8-14(2)9-11-15/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine has a molecular weight of 204.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine is sourced from PubChem (CID 155476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).