2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol

C15H23N2O2+ — CID 135598108

IUPAC2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol
SMILESCC[NH+]1CCC(/N=C/c2cc(OC)ccc2O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-17-8-6-13(7-9-17)16-11-12-10-14(19-2)4-5-15(12)18/h4-5,10-11,13,18H,3,6-9H2,1-2H3/p+1/b16-11+
InChIKeyJVTAZPPCLCDTOH-LFIBNONCSA-O
MW263.36 g/mol
LogP0.89
Rot. Bonds4

About 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol

2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol (PubChem CID 135598108) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol
PubChem CID135598108
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol
SMILESCC[NH+]1CCC(/N=C/c2cc(OC)ccc2O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-17-8-6-13(7-9-17)16-11-12-10-14(19-2)4-5-15(12)18/h4-5,10-11,13,18H,3,6-9H2,1-2H3/p+1/b16-11+
InChIKeyJVTAZPPCLCDTOH-LFIBNONCSA-O
XLogP0.89
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-4-methoxyphenol
CID 135787711
2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
CID 135750215
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
2,4-dibromo-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenol
CID 135847639
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598202
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
bis(copper(1+));bis(N'-ethyl-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]carbamimidothioate)
CID 135484932
copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium
CID 142829958

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol (CID 135598108) is 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol is CC[NH+]1CCC(/N=C/c2cc(OC)ccc2O)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol?
The InChIKey is JVTAZPPCLCDTOH-LFIBNONCSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-3-17-8-6-13(7-9-17)16-11-12-10-14(19-2)4-5-15(12)18/h4-5,10-11,13,18H,3,6-9H2,1-2H3/p+1/b16-11+.
What are the key properties of 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol?
2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol has a molecular weight of 263.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135598108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).