N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine

C₁₄H₃₀N₂ — CID 62117082

About N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine

N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine (PubChem CID 62117082) has the molecular formula C₁₄H₃₀N₂ and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine
• PubChem CID: 62117082
• Molecular Formula: C₁₄H₃₀N₂
• Molecular Weight: 226.41 g/mol
• Exact Mass: 226.24
• IUPAC Name: N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine
• SMILES: CCCC(CC)N1CCC(NCC)CC1C
• InChI: InChI=1S/C14H30N2/c1-5-8-14(6-2)16-10-9-13(15-7-3)11-12(16)4/h12-15H,5-11H2,1-4H3
• InChIKey: SYNBSCGXTLDZEK-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.41
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine?

The IUPAC name of N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine (CID 62117082) is N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine.

What is the SMILES notation for N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine?

The canonical SMILES for N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine is CCCC(CC)N1CCC(NCC)CC1C.

What is the InChIKey of N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine?

The InChIKey is SYNBSCGXTLDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-8-14(6-2)16-10-9-13(15-7-3)11-12(16)4/h12-15H,5-11H2,1-4H3.

What are the key properties of N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine?

N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine is sourced from PubChem (CID 62117082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62117082 — identifiers, structure, computed properties (public domain)

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