2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine

C15H21F3N2 — CID 10085394

IUPAC2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine
SMILESFC(F)(F)CN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)12-19-14(13-7-3-1-4-8-13)11-20-9-5-2-6-10-20/h1,3-4,7-8,14,19H,2,5-6,9-12H2/t14-/m0/s1
InChIKeyWCOOKYOCUIWLPQ-AWEZNQCLSA-N
MW286.34 g/mol
LogP3.37
Rot. Bonds5

About 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine

2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine (PubChem CID 10085394) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine
PubChem CID10085394
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine
SMILESFC(F)(F)CN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)12-19-14(13-7-3-1-4-8-13)11-20-9-5-2-6-10-20/h1,3-4,7-8,14,19H,2,5-6,9-12H2/t14-/m0/s1
InChIKeyWCOOKYOCUIWLPQ-AWEZNQCLSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
N-Benzylethylenediamine
CID 77801
2-Benzylpiperidine
CID 118004
1-(3-Fluorobenzyl)piperazine
CID 903813
1-Benzyl-4-methyl-piperazine
CID 763557
1-(4-Fluorobenzyl)piperazine
CID 796563
1-Phenethylpiperazine
CID 79214
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine (CID 10085394) is 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine is FC(F)(F)CN[C@@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine?
The InChIKey is WCOOKYOCUIWLPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)12-19-14(13-7-3-1-4-8-13)11-20-9-5-2-6-10-20/h1,3-4,7-8,14,19H,2,5-6,9-12H2/t14-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine?
2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine has a molecular weight of 286.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine is sourced from PubChem (CID 10085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).