2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol

C23H30N2O3 — CID 135597885

IUPAC2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/C[C@H](c2ccc(OC)cc2)N2CCCCC2)c1O
InChIInChI=1S/C23H30N2O3/c1-3-28-22-9-7-8-19(23(22)26)16-24-17-21(25-14-5-4-6-15-25)18-10-12-20(27-2)13-11-18/h7-13,16,21,26H,3-6,14-15,17H2,1-2H3/b24-16+/t21-/m1/s1
InChIKeyLZHQEDMXHUMOJM-KCOUNZPASA-N
MW382.50 g/mol
LogP4.45
Rot. Bonds8

About 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol

2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol (PubChem CID 135597885) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
PubChem CID135597885
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/C[C@H](c2ccc(OC)cc2)N2CCCCC2)c1O
InChIInChI=1S/C23H30N2O3/c1-3-28-22-9-7-8-19(23(22)26)16-24-17-21(25-14-5-4-6-15-25)18-10-12-20(27-2)13-11-18/h7-13,16,21,26H,3-6,14-15,17H2,1-2H3/b24-16+/t21-/m1/s1
InChIKeyLZHQEDMXHUMOJM-KCOUNZPASA-N
XLogP4.45
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
CID 135758285
2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
CID 135757753
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
2-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-6-ethoxyphenol
CID 135595845
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
CID 135757849
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135596340
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
2-ethoxy-6-[3-[3-(3-ethoxy-2-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]phenol
CID 68534181

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol (CID 135597885) is 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol is CCOc1cccc(/C=N/C[C@H](c2ccc(OC)cc2)N2CCCCC2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
The InChIKey is LZHQEDMXHUMOJM-KCOUNZPASA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-28-22-9-7-8-19(23(22)26)16-24-17-21(25-14-5-4-6-15-25)18-10-12-20(27-2)13-11-18/h7-13,16,21,26H,3-6,14-15,17H2,1-2H3/b24-16+/t21-/m1/s1.
What are the key properties of 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol has a molecular weight of 382.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135597885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).