2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine

C12H23F3N2 — CID 83983142

IUPAC2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
SMILESCC(C)CN1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-10(2)8-17-5-3-11(4-6-17)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyWKPBHGZWRUXSAE-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 83983142) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
PubChem CID83983142
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
SMILESCC(C)CN1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-10(2)8-17-5-3-11(4-6-17)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyWKPBHGZWRUXSAE-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
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-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine (CID 83983142) is 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine is CC(C)CN1CCC(CNCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is WKPBHGZWRUXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2)8-17-5-3-11(4-6-17)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 83983142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).