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

C32H39NO4 — CID 67720386

IUPAC2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(O)CCCN2CCCCC2C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H39NO4/c1-31(2,30(35)36)25-20-18-24(19-21-25)28(34)16-11-23-33-22-10-9-17-29(33)32(37,26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,18-21,28-29,34,37H,9-11,16-17,22-23H2,1-2H3,(H,35,36)
InChIKeyFVHITUUNMOKSIT-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.65
Rot. Bonds10

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

2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid (PubChem CID 67720386) has the molecular formula C32H39NO4 and a molecular weight of 501.67 g/mol. Its IUPAC name is 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
PubChem CID67720386
Molecular FormulaC32H39NO4
Molecular Weight501.67 g/mol
Exact Mass501.29
IUPAC Name2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(O)CCCN2CCCCC2C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H39NO4/c1-31(2,30(35)36)25-20-18-24(19-21-25)28(34)16-11-23-33-22-10-9-17-29(33)32(37,26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,18-21,28-29,34,37H,9-11,16-17,22-23H2,1-2H3,(H,35,36)
InChIKeyFVHITUUNMOKSIT-UHFFFAOYSA-N
XLogP5.65
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;yttrium
CID 169429870
2-[4-[1-hydroxy-4-[4-(3-hydroxy-3,3-diphenylpropyl)piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CID 71061836
2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
CID 59041922
3-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-3-methylbut-1-en-2-ol
CID 89189674
4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
CID 22269407
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butyl]phenyl]-2-methylpropanoic acid;nonadecane
CID 159665113
2-hydroxypropyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 175674529
2-[4-[1-hydroxy-4-[4-[(2E,4Z)-1-hydroxy-2-methyl-1-phenylhexa-2,4-dienyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride
CID 123133835
2-[4-[4-(2-benzhydryl-4-hydroxypiperidin-1-yl)-1-hydroxybutyl]phenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 139707378
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
methyl 2-[4-[1-hydroxy-4-[4-[[2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoyl]oxy-diphenylmethyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 90831482
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid (CID 67720386) is 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCCCC2C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid?
The InChIKey is FVHITUUNMOKSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-20-18-24(19-21-25)28(34)16-11-23-33-22-10-9-17-29(33)32(37,26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,18-21,28-29,34,37H,9-11,16-17,22-23H2,1-2H3,(H,35,36).
What are the key properties of 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid?
2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid has a molecular weight of 501.67 g/mol, XLogP of 5.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-hydroxy-4-[2-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 67720386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).