2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine

C15H24N2O2 — CID 97045253

IUPAC2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine
SMILESCCCO[C@H]1CCCN(Cc2ccc(OC)nc2)C1
InChIInChI=1S/C15H24N2O2/c1-3-9-19-14-5-4-8-17(12-14)11-13-6-7-15(18-2)16-10-13/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWDDWMXIQNKPZMG-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.48
Rot. Bonds6

About 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine

2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine (PubChem CID 97045253) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine
PubChem CID97045253
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine
SMILESCCCO[C@H]1CCCN(Cc2ccc(OC)nc2)C1
InChIInChI=1S/C15H24N2O2/c1-3-9-19-14-5-4-8-17(12-14)11-13-6-7-15(18-2)16-10-13/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWDDWMXIQNKPZMG-AWEZNQCLSA-N
XLogP2.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine (CID 97045253) is 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine is CCCO[C@H]1CCCN(Cc2ccc(OC)nc2)C1.
What is the InChIKey of 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine?
The InChIKey is WDDWMXIQNKPZMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-9-19-14-5-4-8-17(12-14)11-13-6-7-15(18-2)16-10-13/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine?
2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine has a molecular weight of 264.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 97045253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).