1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid

C22H25NO3 — CID 10405703

IUPAC1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(CCC=C(c2ccccc2)c2ccccc2)CCC1O
InChIInChI=1S/C22H25NO3/c24-21-13-15-23(16-20(21)22(25)26)14-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,20-21,24H,7,13-16H2,(H,25,26)
InChIKeyHNWMKJPGUCBWRA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds6

About 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid

1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid (PubChem CID 10405703) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid
PubChem CID10405703
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(CCC=C(c2ccccc2)c2ccccc2)CCC1O
InChIInChI=1S/C22H25NO3/c24-21-13-15-23(16-20(21)22(25)26)14-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,20-21,24H,7,13-16H2,(H,25,26)
InChIKeyHNWMKJPGUCBWRA-UHFFFAOYSA-N
XLogP3.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic 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 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid (CID 10405703) is 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid is O=C(O)C1CN(CCC=C(c2ccccc2)c2ccccc2)CCC1O.
What is the InChIKey of 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid?
The InChIKey is HNWMKJPGUCBWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21-13-15-23(16-20(21)22(25)26)14-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,20-21,24H,7,13-16H2,(H,25,26).
What are the key properties of 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid?
1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 10405703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).