2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine

C12H22F4N2 — CID 106293319

IUPAC2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
SMILESCCCNC1CCN(CC(F)(F)C(F)F)C(C)C1
InChIInChI=1S/C12H22F4N2/c1-3-5-17-10-4-6-18(9(2)7-10)8-12(15,16)11(13)14/h9-11,17H,3-8H2,1-2H3
InChIKeyJADAMVBCFMZRCJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine

2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine (PubChem CID 106293319) has the molecular formula C12H22F4N2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
PubChem CID106293319
Molecular FormulaC12H22F4N2
Molecular Weight270.31 g/mol
Exact Mass270.17
IUPAC Name2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
SMILESCCCNC1CCN(CC(F)(F)C(F)F)C(C)C1
InChIInChI=1S/C12H22F4N2/c1-3-5-17-10-4-6-18(9(2)7-10)8-12(15,16)11(13)14/h9-11,17H,3-8H2,1-2H3
InChIKeyJADAMVBCFMZRCJ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
The IUPAC name of 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine (CID 106293319) is 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine is CCCNC1CCN(CC(F)(F)C(F)F)C(C)C1.
What is the InChIKey of 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
The InChIKey is JADAMVBCFMZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4N2/c1-3-5-17-10-4-6-18(9(2)7-10)8-12(15,16)11(13)14/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine has a molecular weight of 270.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine is sourced from PubChem (CID 106293319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).