ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine

C66H84F3N5O4 — CID 142283531

About ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine

ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine (PubChem CID 142283531) has the molecular formula C66H84F3N5O4 and a molecular weight of 1068.42 g/mol. Its IUPAC name is ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

• Compound Name: ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine
• PubChem CID: 142283531
• Molecular Formula: C66H84F3N5O4
• Molecular Weight: 1068.42 g/mol
• Exact Mass: 1067.65
• IUPAC Name: ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine
• SMILES: CC.CC.COc1ccc2c(c1)C(CN1CCC(Oc3ccncc3)CC1)CC2.Fc1ccc(OC2CCN(CC3CCc4cccc(F)c43)CC2)cc1.Fc1cccc2c1C(CN1CCC(Oc3ccncc3)CC1)CC2
• InChI: InChI=1S/C21H23F2NO.C21H26N2O2.C20H23FN2O.2C2H6/c22-17-6-8-18(9-7-17)25-19-10-12-24(13-11-19)14-16-5-4-15-2-1-3-20(23)21(15)16;1-24-20-5-4-16-2-3-17(21(16)14-20)15-23-12-8-19(9-13-23)25-18-6-10-22-11-7-18;21-19-3-1-2-15-4-5-16(20(15)19)14-23-12-8-18(9-13-23)24-17-6-10-22-11-7-17;2*1-2/h1-3,6-9,16,19H,4-5,10-14H2;4-7,10-11,14,17,19H,2-3,8-9,12-13,15H2,1H3;1-3,6-7,10-11,16,18H,4-5,8-9,12-14H2;2*1-2H3
• InChIKey: SOLAWOWPRPEVNA-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 72.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.42
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine?

The IUPAC name of ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine (CID 142283531) is ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine.

What is the SMILES notation for ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine?

The canonical SMILES for ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine is CC.CC.COc1ccc2c(c1)C(CN1CCC(Oc3ccncc3)CC1)CC2.Fc1ccc(OC2CCN(CC3CCc4cccc(F)c43)CC2)cc1.Fc1cccc2c1C(CN1CCC(Oc3ccncc3)CC1)CC2.

What is the InChIKey of ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine?

The InChIKey is SOLAWOWPRPEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO.C21H26N2O2.C20H23FN2O.2C2H6/c22-17-6-8-18(9-7-17)25-19-10-12-24(13-11-19)14-16-5-4-15-2-1-3-20(23)21(15)16;1-24-20-5-4-16-2-3-17(21(16)14-20)15-23-12-8-19(9-13-23)25-18-6-10-22-11-7-18;21-19-3-1-2-15-4-5-16(20(15)19)14-23-12-8-18(9-13-23)24-17-6-10-22-11-7-17;2*1-2/h1-3,6-9,16,19H,4-5,10-14H2;4-7,10-11,14,17,19H,2-3,8-9,12-13,15H2,1H3;1-3,6-7,10-11,16,18H,4-5,8-9,12-14H2;2*1-2H3.

What are the key properties of ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine?

ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine has a molecular weight of 1068.42 g/mol, XLogP of 14.05, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-4-(4-fluorophenoxy)piperidine;4-[1-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine;4-[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 142283531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).