[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine

C15H21F3N2 — CID 103353554

IUPAC[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(c2ccccc2C(F)(F)F)C(CN)C1
InChIInChI=1S/C15H21F3N2/c1-2-11-7-8-20(12(9-11)10-19)14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12H,2,7-10,19H2,1H3
InChIKeyNFQDDDJQYNGIFJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.66
Rot. Bonds3

About [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine

[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine (PubChem CID 103353554) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
PubChem CID103353554
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(c2ccccc2C(F)(F)F)C(CN)C1
InChIInChI=1S/C15H21F3N2/c1-2-11-7-8-20(12(9-11)10-19)14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12H,2,7-10,19H2,1H3
InChIKeyNFQDDDJQYNGIFJ-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine (CID 103353554) is [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine is CCC1CCN(c2ccccc2C(F)(F)F)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine?
The InChIKey is NFQDDDJQYNGIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-11-7-8-20(12(9-11)10-19)14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12H,2,7-10,19H2,1H3.
What are the key properties of [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103353554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).