2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine

C₁₆H₂₆N₂ — CID 116936522

About 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine

2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116936522) has the molecular formula C₁₆H₂₆N₂ and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

• Compound Name: 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
• PubChem CID: 116936522
• Molecular Formula: C₁₆H₂₆N₂
• Molecular Weight: 246.40 g/mol
• Exact Mass: 246.21
• IUPAC Name: 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
• SMILES: Cc1ccc(C(N)CC2CCNCC2)c(C)c1C
• InChI: InChI=1S/C16H26N2/c1-11-4-5-15(13(3)12(11)2)16(17)10-14-6-8-18-9-7-14/h4-5,14,16,18H,6-10,17H2,1-3H3
• InChIKey: AKQIFLHENIUZLR-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.40
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?

The IUPAC name of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine (CID 116936522) is 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine.

What is the SMILES notation for 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?

The canonical SMILES for 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine is Cc1ccc(C(N)CC2CCNCC2)c(C)c1C.

What is the InChIKey of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?

The InChIKey is AKQIFLHENIUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-4-5-15(13(3)12(11)2)16(17)10-14-6-8-18-9-7-14/h4-5,14,16,18H,6-10,17H2,1-3H3.

What are the key properties of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?

2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116936522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116936522 — identifiers, structure, computed properties (public domain)

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