(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine

C18H22N2O3 — CID 127027237

IUPAC(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine
SMILESCOc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O3/c1-21-16-6-4-15(5-7-16)12-20-9-10-22-18(13-20)14-23-17-3-2-8-19-11-17/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyAUFHMMWSOHFEGS-SFHVURJKSA-N
MW314.38 g/mol
LogP2.37
Rot. Bonds6

About (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine

(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine (PubChem CID 127027237) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine
PubChem CID127027237
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine
SMILESCOc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O3/c1-21-16-6-4-15(5-7-16)12-20-9-10-22-18(13-20)14-23-17-3-2-8-19-11-17/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyAUFHMMWSOHFEGS-SFHVURJKSA-N
XLogP2.37
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine?
The IUPAC name of (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine (CID 127027237) is (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine is COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1.
What is the InChIKey of (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine?
The InChIKey is AUFHMMWSOHFEGS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-21-16-6-4-15(5-7-16)12-20-9-10-22-18(13-20)14-23-17-3-2-8-19-11-17/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine?
(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine has a molecular weight of 314.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine is sourced from PubChem (CID 127027237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).