4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine

C13H20N2O2 — CID 82893031

IUPAC4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
SMILESCOc1cc(C)nc(CO[C@H]2CCCNC2)c1
InChIInChI=1S/C13H20N2O2/c1-10-6-13(16-2)7-11(15-10)9-17-12-4-3-5-14-8-12/h6-7,12,14H,3-5,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUPSXMXSPDZZKBN-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds4

About 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine

4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine (PubChem CID 82893031) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
PubChem CID82893031
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
SMILESCOc1cc(C)nc(CO[C@H]2CCCNC2)c1
InChIInChI=1S/C13H20N2O2/c1-10-6-13(16-2)7-11(15-10)9-17-12-4-3-5-14-8-12/h6-7,12,14H,3-5,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUPSXMXSPDZZKBN-LBPRGKRZSA-N
XLogP1.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine (CID 82893031) is 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine is COc1cc(C)nc(CO[C@H]2CCCNC2)c1.
What is the InChIKey of 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is UPSXMXSPDZZKBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-13(16-2)7-11(15-10)9-17-12-4-3-5-14-8-12/h6-7,12,14H,3-5,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 236.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 82893031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).