2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine

C11H20F4N2 — CID 114168984

IUPAC2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCC(NCC(F)(F)C(F)F)C1CCCN(C)C1
InChIInChI=1S/C11H20F4N2/c1-8(9-4-3-5-17(2)6-9)16-7-11(14,15)10(12)13/h8-10,16H,3-7H2,1-2H3
InChIKeyRJORLZVDOJXGED-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.21
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine (PubChem CID 114168984) has the molecular formula C11H20F4N2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
PubChem CID114168984
Molecular FormulaC11H20F4N2
Molecular Weight256.29 g/mol
Exact Mass256.16
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCC(NCC(F)(F)C(F)F)C1CCCN(C)C1
InChIInChI=1S/C11H20F4N2/c1-8(9-4-3-5-17(2)6-9)16-7-11(14,15)10(12)13/h8-10,16H,3-7H2,1-2H3
InChIKeyRJORLZVDOJXGED-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
CID 103522776
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43307908

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine (CID 114168984) is 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine is CC(NCC(F)(F)C(F)F)C1CCCN(C)C1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
The InChIKey is RJORLZVDOJXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4N2/c1-8(9-4-3-5-17(2)6-9)16-7-11(14,15)10(12)13/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine has a molecular weight of 256.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114168984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).