2-(4-phenylpiperidin-1-yl)ethyl acetate

C15H21NO2 — CID 15925891

IUPAC2-(4-phenylpiperidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-13(17)18-12-11-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3
InChIKeyQBDIYFWFWFIESK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-phenylpiperidin-1-yl)ethyl acetate

2-(4-phenylpiperidin-1-yl)ethyl acetate (PubChem CID 15925891) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)ethyl acetate
PubChem CID15925891
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-phenylpiperidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-13(17)18-12-11-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3
InChIKeyQBDIYFWFWFIESK-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)ethyl acetate (CID 15925891) is 2-(4-phenylpiperidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)ethyl acetate is CC(=O)OCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)ethyl acetate?
The InChIKey is QBDIYFWFWFIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-13(17)18-12-11-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3.
What are the key properties of 2-(4-phenylpiperidin-1-yl)ethyl acetate?
2-(4-phenylpiperidin-1-yl)ethyl acetate has a molecular weight of 247.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)ethyl acetate is sourced from PubChem (CID 15925891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).