[(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C33H42N2O5 — CID 6668209

About [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 6668209) has the molecular formula C33H42N2O5 and a molecular weight of 546.71 g/mol. Its IUPAC name is [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
• PubChem CID: 6668209
• Molecular Formula: C33H42N2O5
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.31
• IUPAC Name: [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
• SMILES: O=C(C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCOCCO)O1)N1CCC(N2CCCCC2)CC1
• InChI: InChI=1S/C33H42N2O5/c36-17-18-38-19-20-39-32-23-25(28-9-6-10-29-27-8-3-2-7-24(27)21-30(28)29)22-31(40-32)33(37)35-15-11-26(12-16-35)34-13-4-1-5-14-34/h2-3,6-10,22,25-26,32,36H,1,4-5,11-21,23H2/t25-,32+/m0/s1
• InChIKey: GLKIWJOPZLKJMH-ZOYWYXQUSA-N
• XLogP: 4.47
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?

The IUPAC name of [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 6668209) is [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

What is the SMILES notation for [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?

The canonical SMILES for [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCOCCO)O1)N1CCC(N2CCCCC2)CC1.

What is the InChIKey of [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?

The InChIKey is GLKIWJOPZLKJMH-ZOYWYXQUSA-N. The full InChI is InChI=1S/C33H42N2O5/c36-17-18-38-19-20-39-32-23-25(28-9-6-10-29-27-8-3-2-7-24(27)21-30(28)29)22-31(40-32)33(37)35-15-11-26(12-16-35)34-13-4-1-5-14-34/h2-3,6-10,22,25-26,32,36H,1,4-5,11-21,23H2/t25-,32+/m0/s1.

What are the key properties of [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?

[(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 546.71 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 6668209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).