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

C12H20N2 — CID 59371116

IUPAC1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1=CCCC=C1N1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-11-5-3-4-6-12(11)14-9-7-13(2)8-10-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeyAOZNZRDWVPVNHH-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.86
Rot. Bonds1

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

1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 59371116) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID59371116
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1=CCCC=C1N1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-11-5-3-4-6-12(11)14-9-7-13(2)8-10-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeyAOZNZRDWVPVNHH-UHFFFAOYSA-N
XLogP1.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 59371116) is 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine is CC1=CCCC=C1N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is AOZNZRDWVPVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-5-3-4-6-12(11)14-9-7-13(2)8-10-14/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine?
1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 59371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).