3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine

C12H18N2O — CID 10420532

IUPAC3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOC[C@@H]1C[C@@H](c2cccnc2)N(C)C1
InChIInChI=1S/C12H18N2O/c1-14-8-10(9-15-2)6-12(14)11-4-3-5-13-7-11/h3-5,7,10,12H,6,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyHIALXRJMBMFGAL-PWSUYJOCSA-N
MW206.29 g/mol
LogP1.72
Rot. Bonds3

About 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine

3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 10420532) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID10420532
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOC[C@@H]1C[C@@H](c2cccnc2)N(C)C1
InChIInChI=1S/C12H18N2O/c1-14-8-10(9-15-2)6-12(14)11-4-3-5-13-7-11/h3-5,7,10,12H,6,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyHIALXRJMBMFGAL-PWSUYJOCSA-N
XLogP1.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 11819953
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 121209485
3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 145285268

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine (CID 10420532) is 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine is COC[C@@H]1C[C@@H](c2cccnc2)N(C)C1.
What is the InChIKey of 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is HIALXRJMBMFGAL-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-10(9-15-2)6-12(14)11-4-3-5-13-7-11/h3-5,7,10,12H,6,8-9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 10420532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).