N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine

C₁₆H₂₄N₂ — CID 83996558

About N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine

N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine (PubChem CID 83996558) has the molecular formula C₁₆H₂₄N₂ and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
• PubChem CID: 83996558
• Molecular Formula: C₁₆H₂₄N₂
• Molecular Weight: 244.38 g/mol
• Exact Mass: 244.19
• IUPAC Name: N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
• SMILES: Cc1ccc(N2CCCC(NCC3CC3)C2)cc1
• InChI: InChI=1S/C16H24N2/c1-13-4-8-16(9-5-13)18-10-2-3-15(12-18)17-11-14-6-7-14/h4-5,8-9,14-15,17H,2-3,6-7,10-12H2,1H3
• InChIKey: CBVULRYSAIXXCJ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.38
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?

The IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine (CID 83996558) is N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine.

What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?

The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine is Cc1ccc(N2CCCC(NCC3CC3)C2)cc1.

What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?

The InChIKey is CBVULRYSAIXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-4-8-16(9-5-13)18-10-2-3-15(12-18)17-11-14-6-7-14/h4-5,8-9,14-15,17H,2-3,6-7,10-12H2,1H3.

What are the key properties of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?

N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83996558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83996558 — identifiers, structure, computed properties (public domain)

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