6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine

C12H21N3O — CID 70886851

IUPAC6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N2CCN(C)CC2)CC=C1N
InChIInChI=1S/C12H21N3O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h4,9-10H,3,5-8,13H2,1-2H3
InChIKeyIDTIBSHJBAKRGL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.38
Rot. Bonds2

About 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine

6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 70886851) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine
PubChem CID70886851
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N2CCN(C)CC2)CC=C1N
InChIInChI=1S/C12H21N3O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h4,9-10H,3,5-8,13H2,1-2H3
InChIKeyIDTIBSHJBAKRGL-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine (CID 70886851) is 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine is COC1=CC(N2CCN(C)CC2)CC=C1N.
What is the InChIKey of 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is IDTIBSHJBAKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h4,9-10H,3,5-8,13H2,1-2H3.
What are the key properties of 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine?
6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70886851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).