2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid

C30H35NO4 — CID 59041922

About 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid

2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid (PubChem CID 59041922) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
• PubChem CID: 59041922
• Molecular Formula: C30H35NO4
• Molecular Weight: 473.61 g/mol
• Exact Mass: 473.26
• IUPAC Name: 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
• SMILES: CC(C)(C(=O)O)c1ccc(C(O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
• InChI: InChI=1S/C30H35NO4/c1-29(2,28(33)34)23-15-13-22(14-16-23)27(32)21-31-19-17-26(18-20-31)30(35,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,26-27,32,35H,17-21H2,1-2H3,(H,33,34)
• InChIKey: WYCGGDBBHCECFQ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 81.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.61
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid?

The IUPAC name of 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid (CID 59041922) is 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid.

What is the SMILES notation for 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid?

The canonical SMILES for 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(C(O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.

What is the InChIKey of 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid?

The InChIKey is WYCGGDBBHCECFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO4/c1-29(2,28(33)34)23-15-13-22(14-16-23)27(32)21-31-19-17-26(18-20-31)30(35,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,26-27,32,35H,17-21H2,1-2H3,(H,33,34).

What are the key properties of 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid?

2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid has a molecular weight of 473.61 g/mol, XLogP of 4.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 59041922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).