1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol

C13H21N3O2 — CID 81097388

IUPAC1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
SMILESCCOc1nc(N2CCC(C)(O)CC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-3-18-12-10(14)4-5-11(15-12)16-8-6-13(2,17)7-9-16/h4-5,17H,3,6-9,14H2,1-2H3
InChIKeySMSDTZMLLYRTBD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds3

About 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol

1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol (PubChem CID 81097388) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
PubChem CID81097388
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
SMILESCCOc1nc(N2CCC(C)(O)CC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-3-18-12-10(14)4-5-11(15-12)16-8-6-13(2,17)7-9-16/h4-5,17H,3,6-9,14H2,1-2H3
InChIKeySMSDTZMLLYRTBD-UHFFFAOYSA-N
XLogP1.41
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol (CID 81097388) is 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol is CCOc1nc(N2CCC(C)(O)CC2)ccc1N.
What is the InChIKey of 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol?
The InChIKey is SMSDTZMLLYRTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-12-10(14)4-5-11(15-12)16-8-6-13(2,17)7-9-16/h4-5,17H,3,6-9,14H2,1-2H3.
What are the key properties of 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol?
1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol has a molecular weight of 251.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).