[(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol

C11H17N3O — CID 42555980

IUPAC[(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol
SMILESCc1cncc(N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C11H17N3O/c1-9-5-12-6-11(13-9)14-4-2-3-10(7-14)8-15/h5-6,10,15H,2-4,7-8H2,1H3/t10-/m0/s1
InChIKeyOWOMYFSSKZGDBC-JTQLQIEISA-N
MW207.28 g/mol
LogP0.99
Rot. Bonds2

About [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol

[(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol (PubChem CID 42555980) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol
PubChem CID42555980
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol
SMILESCc1cncc(N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C11H17N3O/c1-9-5-12-6-11(13-9)14-4-2-3-10(7-14)8-15/h5-6,10,15H,2-4,7-8H2,1H3/t10-/m0/s1
InChIKeyOWOMYFSSKZGDBC-JTQLQIEISA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol (CID 42555980) is [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol is Cc1cncc(N2CCC[C@H](CO)C2)n1.
What is the InChIKey of [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol?
The InChIKey is OWOMYFSSKZGDBC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-5-12-6-11(13-9)14-4-2-3-10(7-14)8-15/h5-6,10,15H,2-4,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol?
[(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 42555980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).