2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine

C10H19F3N2 — CID 129298367

IUPAC2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCC(C)N1CCC(C(N)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-7(2)15-5-3-8(4-6-15)9(14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyMTFOEBBUOVRYDZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine

2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine (PubChem CID 129298367) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
PubChem CID129298367
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCC(C)N1CCC(C(N)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-7(2)15-5-3-8(4-6-15)9(14)10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyMTFOEBBUOVRYDZ-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine (CID 129298367) is 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine is CC(C)N1CCC(C(N)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The InChIKey is MTFOEBBUOVRYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-7(2)15-5-3-8(4-6-15)9(14)10(11,12)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 129298367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).