2-(1-propylpiperidin-2-yl)ethyl benzoate

C17H25NO2 — CID 3060654

IUPAC2-(1-propylpiperidin-2-yl)ethyl benzoate
SMILESCCCN1CCCCC1CCOC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-12-18-13-7-6-10-16(18)11-14-20-17(19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyDKYJAIJWHDFFIX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds6

About 2-(1-propylpiperidin-2-yl)ethyl benzoate

2-(1-propylpiperidin-2-yl)ethyl benzoate (PubChem CID 3060654) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(1-propylpiperidin-2-yl)ethyl benzoate.

Molecular Properties

Compound Name2-(1-propylpiperidin-2-yl)ethyl benzoate
PubChem CID3060654
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(1-propylpiperidin-2-yl)ethyl benzoate
SMILESCCCN1CCCCC1CCOC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-12-18-13-7-6-10-16(18)11-14-20-17(19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyDKYJAIJWHDFFIX-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-propylpiperidin-2-yl)ethyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperidin-2-yl)ethyl benzoate?
The IUPAC name of 2-(1-propylpiperidin-2-yl)ethyl benzoate (CID 3060654) is 2-(1-propylpiperidin-2-yl)ethyl benzoate.
What is the SMILES notation for 2-(1-propylpiperidin-2-yl)ethyl benzoate?
The canonical SMILES for 2-(1-propylpiperidin-2-yl)ethyl benzoate is CCCN1CCCCC1CCOC(=O)c1ccccc1.
What is the InChIKey of 2-(1-propylpiperidin-2-yl)ethyl benzoate?
The InChIKey is DKYJAIJWHDFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-12-18-13-7-6-10-16(18)11-14-20-17(19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of 2-(1-propylpiperidin-2-yl)ethyl benzoate?
2-(1-propylpiperidin-2-yl)ethyl benzoate has a molecular weight of 275.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperidin-2-yl)ethyl benzoate is sourced from PubChem (CID 3060654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).