N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine

C13H21N3O — CID 102971487

IUPACN-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine
SMILESCCNc1cccc(N2CCCC(OC)C2)n1
InChIInChI=1S/C13H21N3O/c1-3-14-12-7-4-8-13(15-12)16-9-5-6-11(10-16)17-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,15)
InChIKeyPYKDZTVHJXIWSU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds4

About N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine

N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine (PubChem CID 102971487) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine
PubChem CID102971487
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine
SMILESCCNc1cccc(N2CCCC(OC)C2)n1
InChIInChI=1S/C13H21N3O/c1-3-14-12-7-4-8-13(15-12)16-9-5-6-11(10-16)17-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,15)
InChIKeyPYKDZTVHJXIWSU-UHFFFAOYSA-N
XLogP2.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine (CID 102971487) is N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine is CCNc1cccc(N2CCCC(OC)C2)n1.
What is the InChIKey of N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine?
The InChIKey is PYKDZTVHJXIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-14-12-7-4-8-13(15-12)16-9-5-6-11(10-16)17-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine?
N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 102971487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).