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

C12H16N2O — CID 106316384

IUPAC[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
SMILESCC1=CCCN(c2cnccc2CO)C1
InChIInChI=1S/C12H16N2O/c1-10-3-2-6-14(8-10)12-7-13-5-4-11(12)9-15/h3-5,7,15H,2,6,8-9H2,1H3
InChIKeyIKGKTPUULLGIBN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds2

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

[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol (PubChem CID 106316384) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
PubChem CID106316384
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
SMILESCC1=CCCN(c2cnccc2CO)C1
InChIInChI=1S/C12H16N2O/c1-10-3-2-6-14(8-10)12-7-13-5-4-11(12)9-15/h3-5,7,15H,2,6,8-9H2,1H3
InChIKeyIKGKTPUULLGIBN-UHFFFAOYSA-N
XLogP1.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
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-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 106316371
[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methanol
CID 105066787
[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol
CID 105066894
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787683
[4-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412368
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
CID 105066917
[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol
CID 105066979
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106314434
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol (CID 106316384) is [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol is CC1=CCCN(c2cnccc2CO)C1.
What is the InChIKey of [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
The InChIKey is IKGKTPUULLGIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-2-6-14(8-10)12-7-13-5-4-11(12)9-15/h3-5,7,15H,2,6,8-9H2,1H3.
What are the key properties of [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol has a molecular weight of 204.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 106316384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).