2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine

C10H18F4N2 — CID 106293819

IUPAC2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCC1CC(CNCC(F)(F)C(F)F)CCN1
InChIInChI=1S/C10H18F4N2/c1-7-4-8(2-3-16-7)5-15-6-10(13,14)9(11)12/h7-9,15-16H,2-6H2,1H3
InChIKeyQLOYOBWILJQHFN-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.86
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 106293819) has the molecular formula C10H18F4N2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID106293819
Molecular FormulaC10H18F4N2
Molecular Weight242.26 g/mol
Exact Mass242.14
IUPAC Name2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCC1CC(CNCC(F)(F)C(F)F)CCN1
InChIInChI=1S/C10H18F4N2/c1-7-4-8(2-3-16-7)5-15-6-10(13,14)9(11)12/h7-9,15-16H,2-6H2,1H3
InChIKeyQLOYOBWILJQHFN-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(2-methylpiperidin-4-yl)methyl]methanamine
CID 106740929
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340
1-(2-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 106741134
1-(2-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)methanamine
CID 106741043
2-[(2R)-2-methylpiperidin-4-yl]ethanol
CID 89139578
[(2R,4S)-2-methylpiperidin-4-yl]methanamine
CID 129409873
1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106741088
3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
CID 106737170
tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
CID 103529632
4-(2,2,3,3-tetrafluoropropyl)piperidine
CID 130870167
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine (CID 106293819) is 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine is CC1CC(CNCC(F)(F)C(F)F)CCN1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is QLOYOBWILJQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4N2/c1-7-4-8(2-3-16-7)5-15-6-10(13,14)9(11)12/h7-9,15-16H,2-6H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 242.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106293819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).