(4-methoxy-1-nonylpiperidin-2-yl)methanamine

C₁₆H₃₄N₂O — CID 112622577

About (4-methoxy-1-nonylpiperidin-2-yl)methanamine

(4-methoxy-1-nonylpiperidin-2-yl)methanamine (PubChem CID 112622577) has the molecular formula C₁₆H₃₄N₂O and a molecular weight of 270.46 g/mol. Its IUPAC name is (4-methoxy-1-nonylpiperidin-2-yl)methanamine.

Molecular Properties

• Compound Name: (4-methoxy-1-nonylpiperidin-2-yl)methanamine
• PubChem CID: 112622577
• Molecular Formula: C₁₆H₃₄N₂O
• Molecular Weight: 270.46 g/mol
• Exact Mass: 270.27
• IUPAC Name: (4-methoxy-1-nonylpiperidin-2-yl)methanamine
• SMILES: CCCCCCCCCN1CCC(OC)CC1CN
• InChI: InChI=1S/C16H34N2O/c1-3-4-5-6-7-8-9-11-18-12-10-16(19-2)13-15(18)14-17/h15-16H,3-14,17H2,1-2H3
• InChIKey: ZMZHLJQEMSNWNA-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.46
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-nonylpiperidin-2-yl)methanamine?

The IUPAC name of (4-methoxy-1-nonylpiperidin-2-yl)methanamine (CID 112622577) is (4-methoxy-1-nonylpiperidin-2-yl)methanamine.

What is the SMILES notation for (4-methoxy-1-nonylpiperidin-2-yl)methanamine?

The canonical SMILES for (4-methoxy-1-nonylpiperidin-2-yl)methanamine is CCCCCCCCCN1CCC(OC)CC1CN.

What is the InChIKey of (4-methoxy-1-nonylpiperidin-2-yl)methanamine?

The InChIKey is ZMZHLJQEMSNWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-3-4-5-6-7-8-9-11-18-12-10-16(19-2)13-15(18)14-17/h15-16H,3-14,17H2,1-2H3.

What are the key properties of (4-methoxy-1-nonylpiperidin-2-yl)methanamine?

(4-methoxy-1-nonylpiperidin-2-yl)methanamine has a molecular weight of 270.46 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxy-1-nonylpiperidin-2-yl)methanamine is sourced from PubChem (CID 112622577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112622577 — identifiers, structure, computed properties (public domain)

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