4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid

C29H33NO3 — CID 10456093

IUPAC4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid
SMILESO=C(O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32)
InChIKeyUURQFLKKSYYPEF-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.36
Rot. Bonds9

About 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid

4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid (PubChem CID 10456093) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid
PubChem CID10456093
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid
SMILESO=C(O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32)
InChIKeyUURQFLKKSYYPEF-UHFFFAOYSA-N
XLogP5.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid?
The IUPAC name of 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid (CID 10456093) is 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid.
What is the SMILES notation for 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid?
The canonical SMILES for 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid is O=C(O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid?
The InChIKey is UURQFLKKSYYPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32).
What are the key properties of 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid?
4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid has a molecular weight of 443.59 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid is sourced from PubChem (CID 10456093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).