2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol

C16H24N2O2 — CID 135613696

IUPAC2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/N2C(C)CCCC2C)c1O
InChIInChI=1S/C16H24N2O2/c1-4-20-15-10-6-9-14(16(15)19)11-17-18-12(2)7-5-8-13(18)3/h6,9-13,19H,4-5,7-8H2,1-3H3/b17-11+
InChIKeyFTEVQEDNQWHMKG-GZTJUZNOSA-N
MW276.38 g/mol
LogP3.39
Rot. Bonds4

About 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol

2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol (PubChem CID 135613696) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol
PubChem CID135613696
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/N2C(C)CCCC2C)c1O
InChIInChI=1S/C16H24N2O2/c1-4-20-15-10-6-9-14(16(15)19)11-17-18-12(2)7-5-8-13(18)3/h6,9-13,19H,4-5,7-8H2,1-3H3/b17-11+
InChIKeyFTEVQEDNQWHMKG-GZTJUZNOSA-N
XLogP3.39
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.39
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 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol (CID 135613696) is 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol is CCOc1cccc(/C=N/N2C(C)CCCC2C)c1O.
What is the InChIKey of 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol?
The InChIKey is FTEVQEDNQWHMKG-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-10-6-9-14(16(15)19)11-17-18-12(2)7-5-8-13(18)3/h6,9-13,19H,4-5,7-8H2,1-3H3/b17-11+.
What are the key properties of 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol?
2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol has a molecular weight of 276.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 135613696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).