1-piperidin-1-ylpropan-2-yl acetate

C10H19NO2 — CID 57113024

IUPAC1-piperidin-1-ylpropan-2-yl acetate
SMILESCC(=O)OC(C)CN1CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyFYCGSCJNGODFOF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About 1-piperidin-1-ylpropan-2-yl acetate

1-piperidin-1-ylpropan-2-yl acetate (PubChem CID 57113024) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl acetate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl acetate
PubChem CID57113024
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-piperidin-1-ylpropan-2-yl acetate
SMILESCC(=O)OC(C)CN1CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyFYCGSCJNGODFOF-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-ylpropan-2-yl acetate 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 1-piperidin-1-ylpropan-2-yl acetate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl acetate (CID 57113024) is 1-piperidin-1-ylpropan-2-yl acetate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl acetate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl acetate is CC(=O)OC(C)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl acetate?
The InChIKey is FYCGSCJNGODFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl acetate?
1-piperidin-1-ylpropan-2-yl acetate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl acetate is sourced from PubChem (CID 57113024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).