2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine

C9H16F4N2 — CID 106289581

IUPAC2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCCNC1
InChIInChI=1S/C9H16F4N2/c10-8(11)9(12,13)6-15-5-7-2-1-3-14-4-7/h7-8,14-15H,1-6H2
InChIKeyZPTKJLXTIKWJPS-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.48
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106289581) has the molecular formula C9H16F4N2 and a molecular weight of 228.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106289581
Molecular FormulaC9H16F4N2
Molecular Weight228.23 g/mol
Exact Mass228.12
IUPAC Name2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCCNC1
InChIInChI=1S/C9H16F4N2/c10-8(11)9(12,13)6-15-5-7-2-1-3-14-4-7/h7-8,14-15H,1-6H2
InChIKeyZPTKJLXTIKWJPS-UHFFFAOYSA-N
XLogP1.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.48
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

2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine
CID 106293819
2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 80553591
2-cyclobutyl-2-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209786
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
CID 99962951
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
2,2,3,3-tetrafluoro-N-(2-piperidin-3-ylethyl)propanamide
CID 113265645
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447
4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
CID 107151382

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106289581) is 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine is FC(F)C(F)(F)CNCC1CCCNC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is ZPTKJLXTIKWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4N2/c10-8(11)9(12,13)6-15-5-7-2-1-3-14-4-7/h7-8,14-15H,1-6H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 228.23 g/mol, XLogP of 1.48, 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-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106289581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).