2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol

C13H20N2O2 — CID 141165691

IUPAC2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(=CN2CCN(C)CC2)C1O
InChIInChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)10-11-4-3-5-12(17-2)13(11)16/h3-5,10,13,16H,6-9H2,1-2H3
InChIKeyLBMZAUKOTQVSEI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.58
Rot. Bonds2

About 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol

2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol (PubChem CID 141165691) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol
PubChem CID141165691
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(=CN2CCN(C)CC2)C1O
InChIInChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)10-11-4-3-5-12(17-2)13(11)16/h3-5,10,13,16H,6-9H2,1-2H3
InChIKeyLBMZAUKOTQVSEI-UHFFFAOYSA-N
XLogP0.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol (CID 141165691) is 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol is COC1=CC=CC(=CN2CCN(C)CC2)C1O.
What is the InChIKey of 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol?
The InChIKey is LBMZAUKOTQVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)10-11-4-3-5-12(17-2)13(11)16/h3-5,10,13,16H,6-9H2,1-2H3.
What are the key properties of 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol?
2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol has a molecular weight of 236.32 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-methylpiperazin-1-yl)methylidene]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141165691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).