3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine

C12H16N2O — CID 166917917

IUPAC3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine
SMILESCC1=CC[C@@H](COc2cccnc2)NC1
InChIInChI=1S/C12H16N2O/c1-10-4-5-11(14-7-10)9-15-12-3-2-6-13-8-12/h2-4,6,8,11,14H,5,7,9H2,1H3/t11-/m0/s1
InChIKeyOYSFQGCDXLBTQI-NSHDSACASA-N
MW204.27 g/mol
LogP1.77
Rot. Bonds3

About 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine

3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine (PubChem CID 166917917) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine
PubChem CID166917917
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine
SMILESCC1=CC[C@@H](COc2cccnc2)NC1
InChIInChI=1S/C12H16N2O/c1-10-4-5-11(14-7-10)9-15-12-3-2-6-13-8-12/h2-4,6,8,11,14H,5,7,9H2,1H3/t11-/m0/s1
InChIKeyOYSFQGCDXLBTQI-NSHDSACASA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
CID 67586871
(E)-but-2-enedioic acid;3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 67586557
3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 70127965
3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103141074
(3aR,5R,7aR)-5-(pyridin-3-yloxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 124547951
(1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
CID 125486372
N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine
CID 62451204
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine (CID 166917917) is 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine is CC1=CC[C@@H](COc2cccnc2)NC1.
What is the InChIKey of 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine?
The InChIKey is OYSFQGCDXLBTQI-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-4-5-11(14-7-10)9-15-12-3-2-6-13-8-12/h2-4,6,8,11,14H,5,7,9H2,1H3/t11-/m0/s1.
What are the key properties of 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine?
3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine has a molecular weight of 204.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine is sourced from PubChem (CID 166917917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).