2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C8H15F3N2 — CID 60917999

IUPAC2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)7-2-1-4-13(6-7)5-3-12/h7H,1-6,12H2
InChIKeyAVHTZJALCJKSLV-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 60917999) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID60917999
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)7-2-1-4-13(6-7)5-3-12/h7H,1-6,12H2
InChIKeyAVHTZJALCJKSLV-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 60917999) is 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is NCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is AVHTZJALCJKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)7-2-1-4-13(6-7)5-3-12/h7H,1-6,12H2.
What are the key properties of 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 60917999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).