4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine

C12H21N3 — CID 123271741

IUPAC4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(N)(C2C=CCC=N2)CC1
InChIInChI=1S/C12H21N3/c1-2-15-9-6-12(13,7-10-15)11-5-3-4-8-14-11/h3,5,8,11H,2,4,6-7,9-10,13H2,1H3
InChIKeyYMASACXIQLTMDL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.20
Rot. Bonds2

About 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine

4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine (PubChem CID 123271741) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound Name4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine
PubChem CID123271741
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(N)(C2C=CCC=N2)CC1
InChIInChI=1S/C12H21N3/c1-2-15-9-6-12(13,7-10-15)11-5-3-4-8-14-11/h3,5,8,11H,2,4,6-7,9-10,13H2,1H3
InChIKeyYMASACXIQLTMDL-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine?
The IUPAC name of 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine (CID 123271741) is 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine?
The canonical SMILES for 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine is CCN1CCC(N)(C2C=CCC=N2)CC1.
What is the InChIKey of 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine?
The InChIKey is YMASACXIQLTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-15-9-6-12(13,7-10-15)11-5-3-4-8-14-11/h3,5,8,11H,2,4,6-7,9-10,13H2,1H3.
What are the key properties of 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine?
4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyridin-2-yl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 123271741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).