4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline

C₂₀H₂₂N₂O — CID 143642595

About 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline

4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline (PubChem CID 143642595) has the molecular formula C₂₀H₂₂N₂O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline.

Molecular Properties

• Compound Name: 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline
• PubChem CID: 143642595
• Molecular Formula: C₂₀H₂₂N₂O
• Molecular Weight: 306.41 g/mol
• Exact Mass: 306.17
• IUPAC Name: 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline
• SMILES: CN1CCC2(C=C(c3ccc(N)cc3)c3ccccc3O2)CC1
• InChI: InChI=1S/C20H22N2O/c1-22-12-10-20(11-13-22)14-18(15-6-8-16(21)9-7-15)17-4-2-3-5-19(17)23-20/h2-9,14H,10-13,21H2,1H3
• InChIKey: RXLUWEJCYJJISE-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.41
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?

The IUPAC name of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline (CID 143642595) is 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline.

What is the SMILES notation for 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?

The canonical SMILES for 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline is CN1CCC2(C=C(c3ccc(N)cc3)c3ccccc3O2)CC1.

What is the InChIKey of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?

The InChIKey is RXLUWEJCYJJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22-12-10-20(11-13-22)14-18(15-6-8-16(21)9-7-15)17-4-2-3-5-19(17)23-20/h2-9,14H,10-13,21H2,1H3.

What are the key properties of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?

4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline has a molecular weight of 306.41 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline is sourced from PubChem (CID 143642595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143642595 — identifiers, structure, computed properties (public domain)

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