[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol

C14H20N2O2 — CID 114411439

IUPAC[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol
SMILESCOCC1=CCN(c2ncc(CO)cc2C)CC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(9-17)8-15-14(11)16-5-3-12(4-6-16)10-18-2/h3,7-8,17H,4-6,9-10H2,1-2H3
InChIKeyKJPWQZZZVOFJOQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

About [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol

[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol (PubChem CID 114411439) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol
PubChem CID114411439
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol
SMILESCOCC1=CCN(c2ncc(CO)cc2C)CC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(9-17)8-15-14(11)16-5-3-12(4-6-16)10-18-2/h3,7-8,17H,4-6,9-10H2,1-2H3
InChIKeyKJPWQZZZVOFJOQ-UHFFFAOYSA-N
XLogP1.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol
CID 114411420
[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114490322
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114412419
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114410182
[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412388
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpyridine-3-carboxylic acid
CID 114413607
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 80628715
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356760
4-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]piperazine-2,6-dione
CID 80629400
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617

Frequently Asked Questions

What is the IUPAC name of [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol (CID 114411439) is [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol is COCC1=CCN(c2ncc(CO)cc2C)CC1.
What is the InChIKey of [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol?
The InChIKey is KJPWQZZZVOFJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-13(9-17)8-15-14(11)16-5-3-12(4-6-16)10-18-2/h3,7-8,17H,4-6,9-10H2,1-2H3.
What are the key properties of [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol?
[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol has a molecular weight of 248.33 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 [6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 114411439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).