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

C13H18N2O — CID 135605950

IUPAC2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
SMILESC/C(=N\N1CCCCC1)c1ccccc1O
InChIInChI=1S/C13H18N2O/c1-11(12-7-3-4-8-13(12)16)14-15-9-5-2-6-10-15/h3-4,7-8,16H,2,5-6,9-10H2,1H3/b14-11+
InChIKeyFAZHJHBICIYFNX-SDNWHVSQSA-N
MW218.30 g/mol
LogP2.60
Rot. Bonds2

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

2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol (PubChem CID 135605950) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
PubChem CID135605950
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
SMILESC/C(=N\N1CCCCC1)c1ccccc1O
InChIInChI=1S/C13H18N2O/c1-11(12-7-3-4-8-13(12)16)14-15-9-5-2-6-10-15/h3-4,7-8,16H,2,5-6,9-10H2,1H3/b14-11+
InChIKeyFAZHJHBICIYFNX-SDNWHVSQSA-N
XLogP2.60
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.60
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)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol (CID 135605950) is 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol is C/C(=N\N1CCCCC1)c1ccccc1O.
What is the InChIKey of 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
The InChIKey is FAZHJHBICIYFNX-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(12-7-3-4-8-13(12)16)14-15-9-5-2-6-10-15/h3-4,7-8,16H,2,5-6,9-10H2,1H3/b14-11+.
What are the key properties of 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol?
2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol has a molecular weight of 218.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol is sourced from PubChem (CID 135605950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).