4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C12H18N2O2 — CID 122185347

IUPAC4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1ccncc1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H18N2O2/c1-14-7-3-4-10(14)9-16-12-8-13-6-5-11(12)15-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyIDCKFOFDGKCPQY-JTQLQIEISA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds4

About 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 122185347) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID122185347
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1ccncc1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H18N2O2/c1-14-7-3-4-10(14)9-16-12-8-13-6-5-11(12)15-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyIDCKFOFDGKCPQY-JTQLQIEISA-N
XLogP1.56
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 122185347) is 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is COc1ccncc1OC[C@@H]1CCCN1C.
What is the InChIKey of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is IDCKFOFDGKCPQY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-7-3-4-10(14)9-16-12-8-13-6-5-11(12)15-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 222.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 122185347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).