4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol

C20H27N3O2 — CID 46961418

IUPAC4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol
SMILESOc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1
InChIInChI=1S/C20H27N3O2/c24-20-6-4-18(5-7-20)16-23(17-19-3-1-8-21-15-19)10-2-9-22-11-13-25-14-12-22/h1,3-8,15,24H,2,9-14,16-17H2
InChIKeyNYMVPJYCHDXHOF-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.51
Rot. Bonds8

About 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol

4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol (PubChem CID 46961418) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol
PubChem CID46961418
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol
SMILESOc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1
InChIInChI=1S/C20H27N3O2/c24-20-6-4-18(5-7-20)16-23(17-19-3-1-8-21-15-19)10-2-9-22-11-13-25-14-12-22/h1,3-8,15,24H,2,9-14,16-17H2
InChIKeyNYMVPJYCHDXHOF-UHFFFAOYSA-N
XLogP2.51
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol (CID 46961418) is 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol is Oc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1.
What is the InChIKey of 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol?
The InChIKey is NYMVPJYCHDXHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20-6-4-18(5-7-20)16-23(17-19-3-1-8-21-15-19)10-2-9-22-11-13-25-14-12-22/h1,3-8,15,24H,2,9-14,16-17H2.
What are the key properties of 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol?
4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol has a molecular weight of 341.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 46961418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).