(1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate

C17H25NO2 — CID 175337276

IUPAC(1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate
SMILESCC1C(OC(=O)Cc2ccccc2)CCN(C)C1(C)C
InChIInChI=1S/C17H25NO2/c1-13-15(10-11-18(4)17(13,2)3)20-16(19)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3
InChIKeyDEURGBARWOLAJD-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds3

About (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate

(1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate (PubChem CID 175337276) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate.

Molecular Properties

Compound Name(1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate
PubChem CID175337276
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate
SMILESCC1C(OC(=O)Cc2ccccc2)CCN(C)C1(C)C
InChIInChI=1S/C17H25NO2/c1-13-15(10-11-18(4)17(13,2)3)20-16(19)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3
InChIKeyDEURGBARWOLAJD-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate?
The IUPAC name of (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate (CID 175337276) is (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate.
What is the SMILES notation for (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate?
The canonical SMILES for (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate is CC1C(OC(=O)Cc2ccccc2)CCN(C)C1(C)C.
What is the InChIKey of (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate?
The InChIKey is DEURGBARWOLAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-15(10-11-18(4)17(13,2)3)20-16(19)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3.
What are the key properties of (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate?
(1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate has a molecular weight of 275.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3-tetramethylpiperidin-4-yl) 2-phenylacetate is sourced from PubChem (CID 175337276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).