(2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine

C20H23F3N2O — CID 54240543

IUPAC(2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESFC(F)(F)CON(Cc1ccccc1)[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)15-26-25(14-16-8-3-1-4-9-16)18-12-7-13-24-19(18)17-10-5-2-6-11-17/h1-6,8-11,18-19,24H,7,12-15H2/t18-,19-/m0/s1
InChIKeyQPRNXKOTSCFKOZ-OALUTQOASA-N
MW364.41 g/mol
LogP4.48
Rot. Bonds6

About (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine

(2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine (PubChem CID 54240543) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
PubChem CID54240543
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESFC(F)(F)CON(Cc1ccccc1)[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)15-26-25(14-16-8-3-1-4-9-16)18-12-7-13-24-19(18)17-10-5-2-6-11-17/h1-6,8-11,18-19,24H,7,12-15H2/t18-,19-/m0/s1
InChIKeyQPRNXKOTSCFKOZ-OALUTQOASA-N
XLogP4.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzhydrylpiperazine
CID 70048
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(1,2-Diphenylethyl)piperazine
CID 12263801
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
1-(2-phenylethyl)-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 26458299
[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-[2-(4-fluoro-phenyl)-ethyl]-amine
CID 44400949
[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-(2-p-tolyl-ethyl)-amine
CID 44401048
[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-[2-(4-trifluoromethyl-phenyl)-ethyl]-amine
CID 44401085
[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-phenethyl-amine
CID 44401146
1-(1-Phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)piperazine
CID 44414707
1-benzyl-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 784315
1-Benzyl-2-phenylpiperazine
CID 98031

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The IUPAC name of (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine (CID 54240543) is (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The canonical SMILES for (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine is FC(F)(F)CON(Cc1ccccc1)[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The InChIKey is QPRNXKOTSCFKOZ-OALUTQOASA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)15-26-25(14-16-8-3-1-4-9-16)18-12-7-13-24-19(18)17-10-5-2-6-11-17/h1-6,8-11,18-19,24H,7,12-15H2/t18-,19-/m0/s1.
What are the key properties of (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
(2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-benzyl-2-phenyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine is sourced from PubChem (CID 54240543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).