(1-methylpiperidin-4-yl) 2-phenylacetate

C14H19NO2 — CID 933463

IUPAC(1-methylpiperidin-4-yl) 2-phenylacetate
SMILESCN1CCC(OC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-15-9-7-13(8-10-15)17-14(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyWWZHNPLTYCIJLH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds3

About (1-methylpiperidin-4-yl) 2-phenylacetate

(1-methylpiperidin-4-yl) 2-phenylacetate (PubChem CID 933463) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-phenylacetate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-phenylacetate
PubChem CID933463
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-methylpiperidin-4-yl) 2-phenylacetate
SMILESCN1CCC(OC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-15-9-7-13(8-10-15)17-14(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyWWZHNPLTYCIJLH-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-phenylacetate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-phenylacetate (CID 933463) is (1-methylpiperidin-4-yl) 2-phenylacetate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-phenylacetate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-phenylacetate is CN1CCC(OC(=O)Cc2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-phenylacetate?
The InChIKey is WWZHNPLTYCIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-7-13(8-10-15)17-14(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-phenylacetate?
(1-methylpiperidin-4-yl) 2-phenylacetate has a molecular weight of 233.31 g/mol, XLogP of 1.87, 3 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-phenylacetate is sourced from PubChem (CID 933463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).