2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol

C18H20N2O2 — CID 135475870

IUPAC2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol
SMILESOc1ccc(/C=C/c2ccccn2)cc1CN1CCOCC1
InChIInChI=1S/C18H20N2O2/c21-18-7-5-15(4-6-17-3-1-2-8-19-17)13-16(18)14-20-9-11-22-12-10-20/h1-8,13,21H,9-12,14H2/b6-4+
InChIKeyJEZQLZZOCJSULB-GQCTYLIASA-N
MW296.37 g/mol
LogP2.79
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol

2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol (PubChem CID 135475870) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol
PubChem CID135475870
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol
SMILESOc1ccc(/C=C/c2ccccn2)cc1CN1CCOCC1
InChIInChI=1S/C18H20N2O2/c21-18-7-5-15(4-6-17-3-1-2-8-19-17)13-16(18)14-20-9-11-22-12-10-20/h1-8,13,21H,9-12,14H2/b6-4+
InChIKeyJEZQLZZOCJSULB-GQCTYLIASA-N
XLogP2.79
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-fluoro-4-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]morpholine
CID 141168108
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 44578811
(3E,5E)-3,5-bis[[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]piperidin-4-one;trihydrochloride
CID 127037835
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
4-(fluoren-9-ylidenemethyl)-2,6-bis(morpholin-4-ylmethyl)phenol
CID 16681691
2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
CID 173388059
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol?
The IUPAC name of 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol (CID 135475870) is 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol is Oc1ccc(/C=C/c2ccccn2)cc1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol?
The InChIKey is JEZQLZZOCJSULB-GQCTYLIASA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18-7-5-15(4-6-17-3-1-2-8-19-17)13-16(18)14-20-9-11-22-12-10-20/h1-8,13,21H,9-12,14H2/b6-4+.
What are the key properties of 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol?
2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol has a molecular weight of 296.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol is sourced from PubChem (CID 135475870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).