2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine

C11H22F2N2O — CID 120967195

IUPAC2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(CCOCC(F)F)C1
InChIInChI=1S/C11H22F2N2O/c12-11(13)9-16-7-6-15-5-1-2-10(8-15)3-4-14/h10-11H,1-9,14H2
InChIKeyBTPDSHHSUYENLY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine

2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine (PubChem CID 120967195) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine
PubChem CID120967195
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(CCOCC(F)F)C1
InChIInChI=1S/C11H22F2N2O/c12-11(13)9-16-7-6-15-5-1-2-10(8-15)3-4-14/h10-11H,1-9,14H2
InChIKeyBTPDSHHSUYENLY-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine 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-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine (CID 120967195) is 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine is NCCC1CCCN(CCOCC(F)F)C1.
What is the InChIKey of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is BTPDSHHSUYENLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c12-11(13)9-16-7-6-15-5-1-2-10(8-15)3-4-14/h10-11H,1-9,14H2.
What are the key properties of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 120967195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).