[4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone

C₂₅H₂₃NO — CID 122187633

About [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone

[4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 122187633) has the molecular formula C₂₅H₂₃NO and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone
• PubChem CID: 122187633
• Molecular Formula: C₂₅H₂₃NO
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.18
• IUPAC Name: [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone
• SMILES: O=C(c1ccccc1)N1CCC(C2c3ccccc3-c3ccccc32)CC1
• InChI: InChI=1S/C25H23NO/c27-25(19-8-2-1-3-9-19)26-16-14-18(15-17-26)24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,18,24H,14-17H2
• InChIKey: NKHHTPLGRNPILU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone?

The IUPAC name of [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone (CID 122187633) is [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone.

What is the SMILES notation for [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone?

The canonical SMILES for [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(C2c3ccccc3-c3ccccc32)CC1.

What is the InChIKey of [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone?

The InChIKey is NKHHTPLGRNPILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c27-25(19-8-2-1-3-9-19)26-16-14-18(15-17-26)24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,18,24H,14-17H2.

What are the key properties of [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone?

[4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 353.47 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(9H-fluoren-9-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 122187633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122187633 — identifiers, structure, computed properties (public domain)

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