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

C30H35NO4 — CID 59041922

IUPAC2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=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)
InChIKeyWYCGGDBBHCECFQ-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.73
Rot. Bonds8

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 Name2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
PubChem CID59041922
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=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)
InChIKeyWYCGGDBBHCECFQ-UHFFFAOYSA-N
XLogP4.73
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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).