(1-benzylpiperidin-4-yl) propanoate

C15H21NO2 — CID 11959669

IUPAC(1-benzylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-15(17)18-14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXVEBPXDYXUJARN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About (1-benzylpiperidin-4-yl) propanoate

(1-benzylpiperidin-4-yl) propanoate (PubChem CID 11959669) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) propanoate
PubChem CID11959669
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1-benzylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-15(17)18-14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXVEBPXDYXUJARN-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) propanoate?
The IUPAC name of (1-benzylpiperidin-4-yl) propanoate (CID 11959669) is (1-benzylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) propanoate?
The canonical SMILES for (1-benzylpiperidin-4-yl) propanoate is CCC(=O)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) propanoate?
The InChIKey is XVEBPXDYXUJARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(17)18-14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of (1-benzylpiperidin-4-yl) propanoate?
(1-benzylpiperidin-4-yl) propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) propanoate is sourced from PubChem (CID 11959669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).