(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine

C20H23F3N2O — CID 69239676

IUPAC(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine
SMILESNN1CCC[C@@H](Cc2ccccc2OCC(F)(F)F)[C@H]1c1ccccc1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)14-26-18-11-5-4-9-16(18)13-17-10-6-12-25(24)19(17)15-7-2-1-3-8-15/h1-5,7-9,11,17,19H,6,10,12-14,24H2/t17-,19+/m0/s1
InChIKeyZLWDGHYWWGZMJZ-PKOBYXMFSA-N
MW364.41 g/mol
LogP4.50
Rot. Bonds5

About (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine

(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine (PubChem CID 69239676) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine
PubChem CID69239676
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine
SMILESNN1CCC[C@@H](Cc2ccccc2OCC(F)(F)F)[C@H]1c1ccccc1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)14-26-18-11-5-4-9-16(18)13-17-10-6-12-25(24)19(17)15-7-2-1-3-8-15/h1-5,7-9,11,17,19H,6,10,12-14,24H2/t17-,19+/m0/s1
InChIKeyZLWDGHYWWGZMJZ-PKOBYXMFSA-N
XLogP4.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine?
The IUPAC name of (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine (CID 69239676) is (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine?
The canonical SMILES for (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine is NN1CCC[C@@H](Cc2ccccc2OCC(F)(F)F)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine?
The InChIKey is ZLWDGHYWWGZMJZ-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)14-26-18-11-5-4-9-16(18)13-17-10-6-12-25(24)19(17)15-7-2-1-3-8-15/h1-5,7-9,11,17,19H,6,10,12-14,24H2/t17-,19+/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine?
(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine has a molecular weight of 364.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine is sourced from PubChem (CID 69239676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).