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

C14H23N2O7P — CID 135576624

IUPAC2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid
SMILESCOc1cc(/C=N/N2CCCCC2)cc(OC)c1O.O=P(O)(O)O
InChIInChI=1S/C14H20N2O3.H3O4P/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16;1-5(2,3)4/h8-10,17H,3-7H2,1-2H3;(H3,1,2,3,4)/b15-10+;
InChIKeySETUOUYTZCEWCY-GYVLLFFHSA-N
MW362.32 g/mol
LogP1.30
Rot. Bonds4

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

2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid (PubChem CID 135576624) has the molecular formula C14H23N2O7P and a molecular weight of 362.32 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid
PubChem CID135576624
Molecular FormulaC14H23N2O7P
Molecular Weight362.32 g/mol
Exact Mass362.12
IUPAC Name2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid
SMILESCOc1cc(/C=N/N2CCCCC2)cc(OC)c1O.O=P(O)(O)O
InChIInChI=1S/C14H20N2O3.H3O4P/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16;1-5(2,3)4/h8-10,17H,3-7H2,1-2H3;(H3,1,2,3,4)/b15-10+;
InChIKeySETUOUYTZCEWCY-GYVLLFFHSA-N
XLogP1.30
TPSA132.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
N-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)methanimine
CID 292883
5-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenol
CID 9675390
2-Methoxy-5-{[(4-methyl-1-piperazinyl)imino]methyl}phenol
CID 6894200
4-(((4-Benzyl-1-piperazinyl)imino)methyl)-2,6-dimethoxyphenol
CID 135631971
2-Methoxy-4-[(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135589409
(3,5-Dimethoxy-4-hydroxybenzylidene) hydrazine
CID 137207439
2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol
CID 135576625
1-(3,4,5-Trimethoxybenzylideneamino)-piperidine
CID 9554591

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid?
The IUPAC name of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid (CID 135576624) is 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid is COc1cc(/C=N/N2CCCCC2)cc(OC)c1O.O=P(O)(O)O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid?
The InChIKey is SETUOUYTZCEWCY-GYVLLFFHSA-N. The full InChI is InChI=1S/C14H20N2O3.H3O4P/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16;1-5(2,3)4/h8-10,17H,3-7H2,1-2H3;(H3,1,2,3,4)/b15-10+;.
What are the key properties of 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid?
2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid has a molecular weight of 362.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid is sourced from PubChem (CID 135576624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).