2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine

C13H22N2O — CID 163917245

IUPAC2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine
SMILESCC1=NC(C)CC(OC[C@@H]2CCCNC2)=C1
InChIInChI=1S/C13H22N2O/c1-10-6-13(7-11(2)15-10)16-9-12-4-3-5-14-8-12/h6,11-12,14H,3-5,7-9H2,1-2H3/t11?,12-/m1/s1
InChIKeyQXIGJSMDOWQVMH-PIJUOVFKSA-N
MW222.33 g/mol
LogP2.14
Rot. Bonds3

About 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine

2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine (PubChem CID 163917245) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine
PubChem CID163917245
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine
SMILESCC1=NC(C)CC(OC[C@@H]2CCCNC2)=C1
InChIInChI=1S/C13H22N2O/c1-10-6-13(7-11(2)15-10)16-9-12-4-3-5-14-8-12/h6,11-12,14H,3-5,7-9H2,1-2H3/t11?,12-/m1/s1
InChIKeyQXIGJSMDOWQVMH-PIJUOVFKSA-N
XLogP2.14
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine (CID 163917245) is 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine is CC1=NC(C)CC(OC[C@@H]2CCCNC2)=C1.
What is the InChIKey of 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine?
The InChIKey is QXIGJSMDOWQVMH-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-13(7-11(2)15-10)16-9-12-4-3-5-14-8-12/h6,11-12,14H,3-5,7-9H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine?
2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine has a molecular weight of 222.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[(3R)-piperidin-3-yl]methoxy]-2,3-dihydropyridine is sourced from PubChem (CID 163917245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).