4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine

C14H23N3O — CID 113367668

IUPAC4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cc(N2CCCC(OCC)C2)ccn1
InChIInChI=1S/C14H23N3O/c1-3-15-14-10-12(7-8-16-14)17-9-5-6-13(11-17)18-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,15,16)
InChIKeyAISDDBDNRXYGEP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds5

About 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine

4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine (PubChem CID 113367668) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
PubChem CID113367668
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cc(N2CCCC(OCC)C2)ccn1
InChIInChI=1S/C14H23N3O/c1-3-15-14-10-12(7-8-16-14)17-9-5-6-13(11-17)18-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,15,16)
InChIKeyAISDDBDNRXYGEP-UHFFFAOYSA-N
XLogP2.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine (CID 113367668) is 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine is CCNc1cc(N2CCCC(OCC)C2)ccn1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine?
The InChIKey is AISDDBDNRXYGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-14-10-12(7-8-16-14)17-9-5-6-13(11-17)18-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine?
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 113367668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).