(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C18H20N2O3 — CID 66546756

IUPAC(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESc1cnc2c(c1)OC[C@H](c1ccc(CN3CCOCC3)cc1)O2
InChIInChI=1S/C18H20N2O3/c1-2-16-18(19-7-1)23-17(13-22-16)15-5-3-14(4-6-15)12-20-8-10-21-11-9-20/h1-7,17H,8-13H2/t17-/m1/s1
InChIKeyZWUUPDYTGUTSJH-QGZVFWFLSA-N
MW312.37 g/mol
LogP2.43
Rot. Bonds3

About (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 66546756) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID66546756
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESc1cnc2c(c1)OC[C@H](c1ccc(CN3CCOCC3)cc1)O2
InChIInChI=1S/C18H20N2O3/c1-2-16-18(19-7-1)23-17(13-22-16)15-5-3-14(4-6-15)12-20-8-10-21-11-9-20/h1-7,17H,8-13H2/t17-/m1/s1
InChIKeyZWUUPDYTGUTSJH-QGZVFWFLSA-N
XLogP2.43
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 66546756) is (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is c1cnc2c(c1)OC[C@H](c1ccc(CN3CCOCC3)cc1)O2.
What is the InChIKey of (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is ZWUUPDYTGUTSJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-16-18(19-7-1)23-17(13-22-16)15-5-3-14(4-6-15)12-20-8-10-21-11-9-20/h1-7,17H,8-13H2/t17-/m1/s1.
What are the key properties of (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 312.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 66546756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).