5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol

C18H29N3O — CID 135614214

IUPAC5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N2C(C)CCCC2C)c(O)c1
InChIInChI=1S/C18H29N3O/c1-5-20(6-2)17-11-10-16(18(22)12-17)13-19-21-14(3)8-7-9-15(21)4/h10-15,22H,5-9H2,1-4H3/b19-13+
InChIKeyLJBUOLHKNQZFLL-CPNJWEJPSA-N
MW303.45 g/mol
LogP3.84
Rot. Bonds5

About 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol

5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol (PubChem CID 135614214) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
PubChem CID135614214
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N2C(C)CCCC2C)c(O)c1
InChIInChI=1S/C18H29N3O/c1-5-20(6-2)17-11-10-16(18(22)12-17)13-19-21-14(3)8-7-9-15(21)4/h10-15,22H,5-9H2,1-4H3/b19-13+
InChIKeyLJBUOLHKNQZFLL-CPNJWEJPSA-N
XLogP3.84
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.84
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-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol (CID 135614214) is 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol is CCN(CC)c1ccc(/C=N/N2C(C)CCCC2C)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The InChIKey is LJBUOLHKNQZFLL-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-20(6-2)17-11-10-16(18(22)12-17)13-19-21-14(3)8-7-9-15(21)4/h10-15,22H,5-9H2,1-4H3/b19-13+.
What are the key properties of 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol has a molecular weight of 303.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135614214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).