2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol

C15H22N2O — CID 135576308

IUPAC2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\N1C(C)CCCC1C)c1ccccc1O
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-12,18H,6-8H2,1-3H3/b16-13+
InChIKeyZGMIGNCBBQMJEL-DTQAZKPQSA-N
MW246.35 g/mol
LogP3.38
Rot. Bonds2

About 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol

2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol (PubChem CID 135576308) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
PubChem CID135576308
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\N1C(C)CCCC1C)c1ccccc1O
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-12,18H,6-8H2,1-3H3/b16-13+
InChIKeyZGMIGNCBBQMJEL-DTQAZKPQSA-N
XLogP3.38
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol (CID 135576308) is 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol is C/C(=N\N1C(C)CCCC1C)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
The InChIKey is ZGMIGNCBBQMJEL-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-12,18H,6-8H2,1-3H3/b16-13+.
What are the key properties of 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135576308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).