(2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine

C11H19F3N2O — CID 118465251

IUPAC(2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine
SMILESN[C@H]1CCN(C2CCOCC2)[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10-7-8(15)1-4-16(10)9-2-5-17-6-3-9/h8-10H,1-7,15H2/t8-,10-/m0/s1
InChIKeyUMYFPVTVINTOGC-WPRPVWTQSA-N
MW252.28 g/mol
LogP1.52
Rot. Bonds1

About (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine

(2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine (PubChem CID 118465251) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine
PubChem CID118465251
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name(2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine
SMILESN[C@H]1CCN(C2CCOCC2)[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10-7-8(15)1-4-16(10)9-2-5-17-6-3-9/h8-10H,1-7,15H2/t8-,10-/m0/s1
InChIKeyUMYFPVTVINTOGC-WPRPVWTQSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine (CID 118465251) is (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine is N[C@H]1CCN(C2CCOCC2)[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
The InChIKey is UMYFPVTVINTOGC-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)10-7-8(15)1-4-16(10)9-2-5-17-6-3-9/h8-10H,1-7,15H2/t8-,10-/m0/s1.
What are the key properties of (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
(2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 118465251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).