2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol

C14H20N2O3 — CID 135576625

IUPAC2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol
SMILESCOc1cc(/C=N/N2CCCCC2)cc(OC)c1O
InChIInChI=1S/C14H20N2O3/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16/h8-10,17H,3-7H2,1-2H3/b15-10+
InChIKeySNEQVJFGRLFSHK-XNTDXEJSSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds4

About 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol

2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol (PubChem CID 135576625) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol
PubChem CID135576625
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol
SMILESCOc1cc(/C=N/N2CCCCC2)cc(OC)c1O
InChIInChI=1S/C14H20N2O3/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16/h8-10,17H,3-7H2,1-2H3/b15-10+
InChIKeySNEQVJFGRLFSHK-XNTDXEJSSA-N
XLogP2.23
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-Hydroxy-3,5-dimethoxybenzaldehyde azine
CID 135401234
2,6-Dimethoxy-4-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135492297
Syringaldazine
CID 84422
(E)-1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 9627226
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
CID 135675953
2-methoxy-5-[(E)-(morpholin-4-ylimino)methyl]phenol
CID 6903171
N-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)methanimine
CID 292883
2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid
CID 135576624
5-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenol
CID 9675390
2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol
CID 135613696

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol (CID 135576625) is 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol is COc1cc(/C=N/N2CCCCC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol?
The InChIKey is SNEQVJFGRLFSHK-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16/h8-10,17H,3-7H2,1-2H3/b15-10+.
What are the key properties of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol?
2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol has a molecular weight of 264.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol is sourced from PubChem (CID 135576625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).