2-[(E)-piperidin-1-yliminomethyl]phenol

C12H16N2O — CID 135519984

IUPAC2-[(E)-piperidin-1-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/N1CCCCC1
InChIInChI=1S/C12H16N2O/c15-12-7-3-2-6-11(12)10-13-14-8-4-1-5-9-14/h2-3,6-7,10,15H,1,4-5,8-9H2/b13-10+
InChIKeyCUNYLUGFCNJJDF-JLHYYAGUSA-N
MW204.27 g/mol
LogP2.21
Rot. Bonds2

About 2-[(E)-piperidin-1-yliminomethyl]phenol

2-[(E)-piperidin-1-yliminomethyl]phenol (PubChem CID 135519984) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(E)-piperidin-1-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-piperidin-1-yliminomethyl]phenol
PubChem CID135519984
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[(E)-piperidin-1-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/N1CCCCC1
InChIInChI=1S/C12H16N2O/c15-12-7-3-2-6-11(12)10-13-14-8-4-1-5-9-14/h2-3,6-7,10,15H,1,4-5,8-9H2/b13-10+
InChIKeyCUNYLUGFCNJJDF-JLHYYAGUSA-N
XLogP2.21
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.21
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)-piperidin-1-yliminomethyl]phenol?
The IUPAC name of 2-[(E)-piperidin-1-yliminomethyl]phenol (CID 135519984) is 2-[(E)-piperidin-1-yliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-piperidin-1-yliminomethyl]phenol?
The canonical SMILES for 2-[(E)-piperidin-1-yliminomethyl]phenol is Oc1ccccc1/C=N/N1CCCCC1.
What is the InChIKey of 2-[(E)-piperidin-1-yliminomethyl]phenol?
The InChIKey is CUNYLUGFCNJJDF-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-7-3-2-6-11(12)10-13-14-8-4-1-5-9-14/h2-3,6-7,10,15H,1,4-5,8-9H2/b13-10+.
What are the key properties of 2-[(E)-piperidin-1-yliminomethyl]phenol?
2-[(E)-piperidin-1-yliminomethyl]phenol has a molecular weight of 204.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-piperidin-1-yliminomethyl]phenol is sourced from PubChem (CID 135519984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).