2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine

C14H23N3O — CID 54985578

IUPAC2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
SMILESCCOC1CCCN(C(CN)c2ccccn2)C1
InChIInChI=1S/C14H23N3O/c1-2-18-12-6-5-9-17(11-12)14(10-15)13-7-3-4-8-16-13/h3-4,7-8,12,14H,2,5-6,9-11,15H2,1H3
InChIKeyALRTVBAMDJDIBI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.58
Rot. Bonds5

About 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine

2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine (PubChem CID 54985578) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
PubChem CID54985578
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
SMILESCCOC1CCCN(C(CN)c2ccccn2)C1
InChIInChI=1S/C14H23N3O/c1-2-18-12-6-5-9-17(11-12)14(10-15)13-7-3-4-8-16-13/h3-4,7-8,12,14H,2,5-6,9-11,15H2,1H3
InChIKeyALRTVBAMDJDIBI-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine (CID 54985578) is 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine is CCOC1CCCN(C(CN)c2ccccn2)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine?
The InChIKey is ALRTVBAMDJDIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-12-6-5-9-17(11-12)14(10-15)13-7-3-4-8-16-13/h3-4,7-8,12,14H,2,5-6,9-11,15H2,1H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine?
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 54985578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).