1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine

C14H24N2O — CID 134534581

IUPAC1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine
SMILESCOC1=CC(C)CC(C)=C1N1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-11-9-12(2)14(13(10-11)17-4)16-7-5-15(3)6-8-16/h10-11H,5-9H2,1-4H3
InChIKeyIOIVTWNXUPITMF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.08
Rot. Bonds2

About 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine

1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine (PubChem CID 134534581) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine
PubChem CID134534581
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine
SMILESCOC1=CC(C)CC(C)=C1N1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-11-9-12(2)14(13(10-11)17-4)16-7-5-15(3)6-8-16/h10-11H,5-9H2,1-4H3
InChIKeyIOIVTWNXUPITMF-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine (CID 134534581) is 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine is COC1=CC(C)CC(C)=C1N1CCN(C)CC1.
What is the InChIKey of 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
The InChIKey is IOIVTWNXUPITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-9-12(2)14(13(10-11)17-4)16-7-5-15(3)6-8-16/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine?
1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 134534581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).