N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine

C₁₆H₃₄N₂O — CID 107395092

About N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine

N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine (PubChem CID 107395092) has the molecular formula C₁₆H₃₄N₂O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine.

Molecular Properties

• Compound Name: N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
• PubChem CID: 107395092
• Molecular Formula: C₁₆H₃₄N₂O
• Molecular Weight: 270.46 g/mol
• Exact Mass: 270.27
• IUPAC Name: N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
• SMILES: CCNCC(CC)(CC)CN1CCCC(C)(OC)C1
• InChI: InChI=1S/C16H34N2O/c1-6-16(7-2,12-17-8-3)14-18-11-9-10-15(4,13-18)19-5/h17H,6-14H2,1-5H3
• InChIKey: KLIDVFUAGGWQQL-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.46
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?

The IUPAC name of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine (CID 107395092) is N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine.

What is the SMILES notation for N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?

The canonical SMILES for N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine is CCNCC(CC)(CC)CN1CCCC(C)(OC)C1.

What is the InChIKey of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?

The InChIKey is KLIDVFUAGGWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-16(7-2,12-17-8-3)14-18-11-9-10-15(4,13-18)19-5/h17H,6-14H2,1-5H3.

What are the key properties of N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine?

N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 107395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107395092 — identifiers, structure, computed properties (public domain)

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