2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine

C12H18N2O — CID 70082064

IUPAC2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
SMILESC[C@@H]1CC[C@@H](COc2ccccn2)N1C
InChIInChI=1S/C12H18N2O/c1-10-6-7-11(14(10)2)9-15-12-5-3-4-8-13-12/h3-5,8,10-11H,6-7,9H2,1-2H3/t10-,11+/m1/s1
InChIKeyIYAOQHBAEDXXCI-MNOVXSKESA-N
MW206.29 g/mol
LogP1.94
Rot. Bonds3

About 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine

2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 70082064) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID70082064
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
SMILESC[C@@H]1CC[C@@H](COc2ccccn2)N1C
InChIInChI=1S/C12H18N2O/c1-10-6-7-11(14(10)2)9-15-12-5-3-4-8-13-12/h3-5,8,10-11H,6-7,9H2,1-2H3/t10-,11+/m1/s1
InChIKeyIYAOQHBAEDXXCI-MNOVXSKESA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine (CID 70082064) is 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine is C[C@@H]1CC[C@@H](COc2ccccn2)N1C.
What is the InChIKey of 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is IYAOQHBAEDXXCI-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-6-7-11(14(10)2)9-15-12-5-3-4-8-13-12/h3-5,8,10-11H,6-7,9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine?
2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 70082064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).