1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol

C13H20N2O — CID 86797293

IUPAC1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1cccc(N2CCCC(C(C)O)C2)n1
InChIInChI=1S/C13H20N2O/c1-10-5-3-7-13(14-10)15-8-4-6-12(9-15)11(2)16/h3,5,7,11-12,16H,4,6,8-9H2,1-2H3
InChIKeyWCSGBYJOVHXAQY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds2

About 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol

1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol (PubChem CID 86797293) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
PubChem CID86797293
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1cccc(N2CCCC(C(C)O)C2)n1
InChIInChI=1S/C13H20N2O/c1-10-5-3-7-13(14-10)15-8-4-6-12(9-15)11(2)16/h3,5,7,11-12,16H,4,6,8-9H2,1-2H3
InChIKeyWCSGBYJOVHXAQY-UHFFFAOYSA-N
XLogP1.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol (CID 86797293) is 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol is Cc1cccc(N2CCCC(C(C)O)C2)n1.
What is the InChIKey of 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
The InChIKey is WCSGBYJOVHXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-3-7-13(14-10)15-8-4-6-12(9-15)11(2)16/h3,5,7,11-12,16H,4,6,8-9H2,1-2H3.
What are the key properties of 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 86797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).