2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine

C12H24F2N2O — CID 120966696

IUPAC2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(CCOCC(F)F)CC1
InChIInChI=1S/C12H24F2N2O/c1-15-5-2-11-3-6-16(7-4-11)8-9-17-10-12(13)14/h11-12,15H,2-10H2,1H3
InChIKeyDKIPLRYPBSOMNR-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.59
Rot. Bonds8

About 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine

2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 120966696) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
PubChem CID120966696
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(CCOCC(F)F)CC1
InChIInChI=1S/C12H24F2N2O/c1-15-5-2-11-3-6-16(7-4-11)8-9-17-10-12(13)14/h11-12,15H,2-10H2,1H3
InChIKeyDKIPLRYPBSOMNR-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine (CID 120966696) is 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(CCOCC(F)F)CC1.
What is the InChIKey of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is DKIPLRYPBSOMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-15-5-2-11-3-6-16(7-4-11)8-9-17-10-12(13)14/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine?
2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 250.33 g/mol, XLogP of 1.59, 8 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-4-yl]-N-methylethanamine is sourced from PubChem (CID 120966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).