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

C13H20N2O — CID 95789080

IUPAC2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
SMILESCOc1ccc(CN2CCCC[C@@H]2C)cn1
InChIInChI=1S/C13H20N2O/c1-11-5-3-4-8-15(11)10-12-6-7-13(16-2)14-9-12/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1
InChIKeyIRXGWVLTFZLTMB-NSHDSACASA-N
MW220.32 g/mol
LogP2.46
Rot. Bonds3

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

2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine (PubChem CID 95789080) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
PubChem CID95789080
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
SMILESCOc1ccc(CN2CCCC[C@@H]2C)cn1
InChIInChI=1S/C13H20N2O/c1-11-5-3-4-8-15(11)10-12-6-7-13(16-2)14-9-12/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1
InChIKeyIRXGWVLTFZLTMB-NSHDSACASA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926602
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine
CID 62992637
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
1-[(6-methoxy-3-pyridinyl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 79406591
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
CID 114937183
5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007668
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
2-[(2S)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129477410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine (CID 95789080) is 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine is COc1ccc(CN2CCCC[C@@H]2C)cn1.
What is the InChIKey of 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
The InChIKey is IRXGWVLTFZLTMB-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-5-3-4-8-15(11)10-12-6-7-13(16-2)14-9-12/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine has a molecular weight of 220.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95789080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).