3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine

C10H20F2N2 — CID 84674360

IUPAC3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine
SMILESNCCCC1CCCN(CC(F)F)C1
InChIInChI=1S/C10H20F2N2/c11-10(12)8-14-6-2-4-9(7-14)3-1-5-13/h9-10H,1-8,13H2
InChIKeyNQEURUSGOHBQMO-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.70
Rot. Bonds5

About 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine

3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine (PubChem CID 84674360) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine
PubChem CID84674360
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine
SMILESNCCCC1CCCN(CC(F)F)C1
InChIInChI=1S/C10H20F2N2/c11-10(12)8-14-6-2-4-9(7-14)3-1-5-13/h9-10H,1-8,13H2
InChIKeyNQEURUSGOHBQMO-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine 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 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine?
The IUPAC name of 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine (CID 84674360) is 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine is NCCCC1CCCN(CC(F)F)C1.
What is the InChIKey of 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine?
The InChIKey is NQEURUSGOHBQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c11-10(12)8-14-6-2-4-9(7-14)3-1-5-13/h9-10H,1-8,13H2.
What are the key properties of 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine?
3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine is sourced from PubChem (CID 84674360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).