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

C15H22N2O — CID 135796063

IUPAC4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
SMILESCC(=NN1C(C)CCCC1C)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O/c1-11-5-4-6-12(2)17(11)16-13(3)14-7-9-15(18)10-8-14/h7-12,18H,4-6H2,1-3H3
InChIKeySWUUTRFVWGSLGM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.38
Rot. Bonds2

About 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol

4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol (PubChem CID 135796063) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
PubChem CID135796063
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
SMILESCC(=NN1C(C)CCCC1C)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O/c1-11-5-4-6-12(2)17(11)16-13(3)14-7-9-15(18)10-8-14/h7-12,18H,4-6H2,1-3H3
InChIKeySWUUTRFVWGSLGM-UHFFFAOYSA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol (CID 135796063) is 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol is CC(=NN1C(C)CCCC1C)c1ccc(O)cc1.
What is the InChIKey of 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
The InChIKey is SWUUTRFVWGSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-4-6-12(2)17(11)16-13(3)14-7-9-15(18)10-8-14/h7-12,18H,4-6H2,1-3H3.
What are the key properties of 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol?
4-[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 4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135796063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).