(1-methylpiperidin-4-yl) 2,2-diphenylpropanoate

C21H25NO2 — CID 667563

IUPAC(1-methylpiperidin-4-yl) 2,2-diphenylpropanoate
SMILESCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c1-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)20(23)24-19-13-15-22(2)16-14-19/h3-12,19H,13-16H2,1-2H3
InChIKeyXZXWTODDRGLJAF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate

(1-methylpiperidin-4-yl) 2,2-diphenylpropanoate (PubChem CID 667563) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2,2-diphenylpropanoate
PubChem CID667563
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(1-methylpiperidin-4-yl) 2,2-diphenylpropanoate
SMILESCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c1-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)20(23)24-19-13-15-22(2)16-14-19/h3-12,19H,13-16H2,1-2H3
InChIKeyXZXWTODDRGLJAF-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate 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-methylpiperidin-4-yl) 2,2-diphenylpropanoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate (CID 667563) is (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate is CN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate?
The InChIKey is XZXWTODDRGLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)20(23)24-19-13-15-22(2)16-14-19/h3-12,19H,13-16H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate?
(1-methylpiperidin-4-yl) 2,2-diphenylpropanoate has a molecular weight of 323.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2,2-diphenylpropanoate is sourced from PubChem (CID 667563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).