1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone

C10H18F2N2O2 — CID 103514241

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone
SMILESNCCCOC1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)10(15)14-5-2-8(3-6-14)16-7-1-4-13/h8-9H,1-7,13H2
InChIKeyWKOBPKKNZVPISB-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.61
Rot. Bonds5

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone (PubChem CID 103514241) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone
PubChem CID103514241
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone
SMILESNCCCOC1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)10(15)14-5-2-8(3-6-14)16-7-1-4-13/h8-9H,1-7,13H2
InChIKeyWKOBPKKNZVPISB-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone 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-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone (CID 103514241) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone is NCCCOC1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone?
The InChIKey is WKOBPKKNZVPISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-9(12)10(15)14-5-2-8(3-6-14)16-7-1-4-13/h8-9H,1-7,13H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone has a molecular weight of 236.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-difluoroethanone is sourced from PubChem (CID 103514241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).