2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate

C23H29NO2 — CID 3047847

IUPAC2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate
SMILESCN1CCCCC1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3
InChIKeyFKFABDZLGKRECY-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.62
Rot. Bonds5

About 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate

2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate (PubChem CID 3047847) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate
PubChem CID3047847
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate
SMILESCN1CCCCC1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3
InChIKeyFKFABDZLGKRECY-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate (CID 3047847) is 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate is CN1CCCCC1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate?
The InChIKey is FKFABDZLGKRECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate?
2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate has a molecular weight of 351.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)propan-2-yl 2,2-diphenylacetate is sourced from PubChem (CID 3047847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).