[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol

C29H41FN2O3 — CID 146229131

About [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol

[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol (PubChem CID 146229131) has the molecular formula C29H41FN2O3 and a molecular weight of 484.66 g/mol. Its IUPAC name is [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol.

Molecular Properties

• Compound Name: [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol
• PubChem CID: 146229131
• Molecular Formula: C29H41FN2O3
• Molecular Weight: 484.66 g/mol
• Exact Mass: 484.31
• IUPAC Name: [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol
• SMILES: CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(O)N4CCC(CO)CC4)cc3)cc2)CC1
• InChI: InChI=1S/C29H41FN2O3/c1-29(2,30)21-31-15-11-23(12-16-31)20-35-27-9-7-25(8-10-27)24-3-5-26(6-4-24)28(34)32-17-13-22(19-33)14-18-32/h3-10,22-23,28,33-34H,11-21H2,1-2H3
• InChIKey: WMTCAMSJXKDHHC-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 56.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.66
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol?

The IUPAC name of [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol (CID 146229131) is [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol.

What is the SMILES notation for [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol?

The canonical SMILES for [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol is CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(O)N4CCC(CO)CC4)cc3)cc2)CC1.

What is the InChIKey of [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol?

The InChIKey is WMTCAMSJXKDHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41FN2O3/c1-29(2,30)21-31-15-11-23(12-16-31)20-35-27-9-7-25(8-10-27)24-3-5-26(6-4-24)28(34)32-17-13-22(19-33)14-18-32/h3-10,22-23,28,33-34H,11-21H2,1-2H3.

What are the key properties of [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol?

[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol has a molecular weight of 484.66 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol is sourced from PubChem (CID 146229131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).