2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine

C12H18N2O2 — CID 129278174

IUPAC2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine
SMILESCOc1ccc(O[C@H]2CCNC[C@H]2C)cn1
InChIInChI=1S/C12H18N2O2/c1-9-7-13-6-5-11(9)16-10-3-4-12(15-2)14-8-10/h3-4,8-9,11,13H,5-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyGVSFVUWWKKCPKD-KOLCDFICSA-N
MW222.29 g/mol
LogP1.47
Rot. Bonds3

About 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine

2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine (PubChem CID 129278174) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine
PubChem CID129278174
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine
SMILESCOc1ccc(O[C@H]2CCNC[C@H]2C)cn1
InChIInChI=1S/C12H18N2O2/c1-9-7-13-6-5-11(9)16-10-3-4-12(15-2)14-8-10/h3-4,8-9,11,13H,5-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyGVSFVUWWKKCPKD-KOLCDFICSA-N
XLogP1.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine?
The IUPAC name of 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine (CID 129278174) is 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine is COc1ccc(O[C@H]2CCNC[C@H]2C)cn1.
What is the InChIKey of 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine?
The InChIKey is GVSFVUWWKKCPKD-KOLCDFICSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-13-6-5-11(9)16-10-3-4-12(15-2)14-8-10/h3-4,8-9,11,13H,5-7H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine?
2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine has a molecular weight of 222.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 129278174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).