[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol

C8H15NO2 — CID 163911940

IUPAC[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol
SMILESCOC1C=C(C)C[C@@H](CO)N1
InChIInChI=1S/C8H15NO2/c1-6-3-7(5-10)9-8(4-6)11-2/h4,7-10H,3,5H2,1-2H3/t7-,8?/m0/s1
InChIKeyQSWBRFDIKSJRTK-JAMMHHFISA-N
MW157.21 g/mol
LogP0.26
Rot. Bonds2

About [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol

[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol (PubChem CID 163911940) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol
PubChem CID163911940
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol
SMILESCOC1C=C(C)C[C@@H](CO)N1
InChIInChI=1S/C8H15NO2/c1-6-3-7(5-10)9-8(4-6)11-2/h4,7-10H,3,5H2,1-2H3/t7-,8?/m0/s1
InChIKeyQSWBRFDIKSJRTK-JAMMHHFISA-N
XLogP0.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-4-(oxan-3-ylamino)pent-2-en-1-ol
CID 173530593
(E)-2-methyl-4-(oxan-3-ylamino)pent-2-en-1-ol
CID 173530607
(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103924414
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353570
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-1-ol
CID 112353645
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 112371324
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 115674340
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentan-1-ol
CID 115742162
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol
CID 115742167

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol?
The IUPAC name of [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol (CID 163911940) is [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol?
The canonical SMILES for [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol is COC1C=C(C)C[C@@H](CO)N1.
What is the InChIKey of [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol?
The InChIKey is QSWBRFDIKSJRTK-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-7(5-10)9-8(4-6)11-2/h4,7-10H,3,5H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol?
[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol is sourced from PubChem (CID 163911940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).