(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine

C₁₂H₂₂N₄ — CID 142400462

About (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine

(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine (PubChem CID 142400462) has the molecular formula C₁₂H₂₂N₄ and a molecular weight of 222.34 g/mol. Its IUPAC name is (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine.

Molecular Properties

• Compound Name: (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
• PubChem CID: 142400462
• Molecular Formula: C₁₂H₂₂N₄
• Molecular Weight: 222.34 g/mol
• Exact Mass: 222.18
• IUPAC Name: (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
• SMILES: CC(C)N1CCN(C2=CC[C@H](N)N=C2)CC1
• InChI: InChI=1S/C12H22N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3,9-10,12H,4-8,13H2,1-2H3/t12-/m1/s1
• InChIKey: LEBVLWWAYVHIIO-GFCCVEGCSA-N
• XLogP: 0.66
• TPSA: 44.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.34
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?

The IUPAC name of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine (CID 142400462) is (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine.

What is the SMILES notation for (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?

The canonical SMILES for (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine is CC(C)N1CCN(C2=CC[C@H](N)N=C2)CC1.

What is the InChIKey of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?

The InChIKey is LEBVLWWAYVHIIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3,9-10,12H,4-8,13H2,1-2H3/t12-/m1/s1.

What are the key properties of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?

(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 142400462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142400462 — identifiers, structure, computed properties (public domain)

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