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

C13H22N2O — CID 173103353

IUPAC1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCOC1(N2CCN(C)CC2)C=CC=C(C)C1
InChIInChI=1S/C13H22N2O/c1-12-5-4-6-13(11-12,16-3)15-9-7-14(2)8-10-15/h4-6H,7-11H2,1-3H3
InChIKeyURMYAOMOPWPOLF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.48
Rot. Bonds2

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

1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine (PubChem CID 173103353) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
PubChem CID173103353
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCOC1(N2CCN(C)CC2)C=CC=C(C)C1
InChIInChI=1S/C13H22N2O/c1-12-5-4-6-13(11-12,16-3)15-9-7-14(2)8-10-15/h4-6H,7-11H2,1-3H3
InChIKeyURMYAOMOPWPOLF-UHFFFAOYSA-N
XLogP1.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine (CID 173103353) is 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine is COC1(N2CCN(C)CC2)C=CC=C(C)C1.
What is the InChIKey of 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The InChIKey is URMYAOMOPWPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12-5-4-6-13(11-12,16-3)15-9-7-14(2)8-10-15/h4-6H,7-11H2,1-3H3.
What are the key properties of 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine has a molecular weight of 222.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 173103353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).