5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol

C14H20N2O2 — CID 135675953

IUPAC5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
SMILESCOc1ccc(/C(C)=N/N2CCCCC2)c(O)c1
InChIInChI=1S/C14H20N2O2/c1-11(15-16-8-4-3-5-9-16)13-7-6-12(18-2)10-14(13)17/h6-7,10,17H,3-5,8-9H2,1-2H3/b15-11+
InChIKeyLAYOKEVAZVLUSZ-RVDMUPIBSA-N
MW248.33 g/mol
LogP2.61
Rot. Bonds3

About 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol

5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol (PubChem CID 135675953) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
PubChem CID135675953
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
SMILESCOc1ccc(/C(C)=N/N2CCCCC2)c(O)c1
InChIInChI=1S/C14H20N2O2/c1-11(15-16-8-4-3-5-9-16)13-7-6-12(18-2)10-14(13)17/h6-7,10,17H,3-5,8-9H2,1-2H3/b15-11+
InChIKeyLAYOKEVAZVLUSZ-RVDMUPIBSA-N
XLogP2.61
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
The IUPAC name of 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol (CID 135675953) is 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
The canonical SMILES for 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol is COc1ccc(/C(C)=N/N2CCCCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
The InChIKey is LAYOKEVAZVLUSZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(15-16-8-4-3-5-9-16)13-7-6-12(18-2)10-14(13)17/h6-7,10,17H,3-5,8-9H2,1-2H3/b15-11+.
What are the key properties of 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol has a molecular weight of 248.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol is sourced from PubChem (CID 135675953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).