1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol

C11H17N3O — CID 102955442

IUPAC1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccncc2N)CC1O
InChIInChI=1S/C11H17N3O/c1-8-3-5-14(7-11(8)15)10-2-4-13-6-9(10)12/h2,4,6,8,11,15H,3,5,7,12H2,1H3
InChIKeyRHWGTTZVKFOBKK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds1

About 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol

1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol (PubChem CID 102955442) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
PubChem CID102955442
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccncc2N)CC1O
InChIInChI=1S/C11H17N3O/c1-8-3-5-14(7-11(8)15)10-2-4-13-6-9(10)12/h2,4,6,8,11,15H,3,5,7,12H2,1H3
InChIKeyRHWGTTZVKFOBKK-UHFFFAOYSA-N
XLogP0.87
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol (CID 102955442) is 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol is CC1CCN(c2ccncc2N)CC1O.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol?
The InChIKey is RHWGTTZVKFOBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-3-5-14(7-11(8)15)10-2-4-13-6-9(10)12/h2,4,6,8,11,15H,3,5,7,12H2,1H3.
What are the key properties of 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol?
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol has a molecular weight of 207.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).