4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine

C13H20N2O2 — CID 171130228

IUPAC4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
SMILESCOc1c(C)cnc(CN2CCOCC2)c1C
InChIInChI=1S/C13H20N2O2/c1-10-8-14-12(11(2)13(10)16-3)9-15-4-6-17-7-5-15/h8H,4-7,9H2,1-3H3
InChIKeyTZNNNXWHXWTBQN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.54
Rot. Bonds3

About 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine (PubChem CID 171130228) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
PubChem CID171130228
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
SMILESCOc1c(C)cnc(CN2CCOCC2)c1C
InChIInChI=1S/C13H20N2O2/c1-10-8-14-12(11(2)13(10)16-3)9-15-4-6-17-7-5-15/h8H,4-7,9H2,1-3H3
InChIKeyTZNNNXWHXWTBQN-UHFFFAOYSA-N
XLogP1.54
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine?
The IUPAC name of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine (CID 171130228) is 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine is COc1c(C)cnc(CN2CCOCC2)c1C.
What is the InChIKey of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine?
The InChIKey is TZNNNXWHXWTBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-14-12(11(2)13(10)16-3)9-15-4-6-17-7-5-15/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine?
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine has a molecular weight of 236.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 171130228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).