(1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate

C22H27NO2 — CID 2854750

IUPAC(1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate
SMILESCC1CN(C)C(C)CC1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-16-15-23(3)17(2)14-20(16)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3
InChIKeySTYAGPHRIVPVTJ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.09
Rot. Bonds4

About (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate

(1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate (PubChem CID 2854750) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate
PubChem CID2854750
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate
SMILESCC1CN(C)C(C)CC1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-16-15-23(3)17(2)14-20(16)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3
InChIKeySTYAGPHRIVPVTJ-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate?
The IUPAC name of (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate (CID 2854750) is (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate.
What is the SMILES notation for (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate?
The canonical SMILES for (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate is CC1CN(C)C(C)CC1OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate?
The InChIKey is STYAGPHRIVPVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-15-23(3)17(2)14-20(16)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3.
What are the key properties of (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate?
(1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate has a molecular weight of 337.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,5-trimethylpiperidin-4-yl) 2,2-diphenylacetate is sourced from PubChem (CID 2854750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).