3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine

C13H18N2O — CID 163447366

IUPAC3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine
SMILESCN1CCOCC1c1ccncc1C1CC1
InChIInChI=1S/C13H18N2O/c1-15-6-7-16-9-13(15)11-4-5-14-8-12(11)10-2-3-10/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyBDQNVODEJGUIBT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds2

About 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine

3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine (PubChem CID 163447366) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine
PubChem CID163447366
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine
SMILESCN1CCOCC1c1ccncc1C1CC1
InChIInChI=1S/C13H18N2O/c1-15-6-7-16-9-13(15)11-4-5-14-8-12(11)10-2-3-10/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyBDQNVODEJGUIBT-UHFFFAOYSA-N
XLogP1.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine?
The IUPAC name of 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine (CID 163447366) is 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine.
What is the SMILES notation for 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine?
The canonical SMILES for 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine is CN1CCOCC1c1ccncc1C1CC1.
What is the InChIKey of 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine?
The InChIKey is BDQNVODEJGUIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-6-7-16-9-13(15)11-4-5-14-8-12(11)10-2-3-10/h4-5,8,10,13H,2-3,6-7,9H2,1H3.
What are the key properties of 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine?
3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine has a molecular weight of 218.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine is sourced from PubChem (CID 163447366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).