(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine

C12H16F3N3 — CID 66510325

IUPAC(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
SMILESN[C@H](c1cccc(N2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11(16)9-2-1-3-10(8-9)18-6-4-17-5-7-18/h1-3,8,11,17H,4-7,16H2/t11-/m1/s1
InChIKeyBLTWRQQEZHGUQI-LLVKDONJSA-N
MW259.28 g/mol
LogP1.66
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine (PubChem CID 66510325) has the molecular formula C12H16F3N3 and a molecular weight of 259.28 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
PubChem CID66510325
Molecular FormulaC12H16F3N3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
SMILESN[C@H](c1cccc(N2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11(16)9-2-1-3-10(8-9)18-6-4-17-5-7-18/h1-3,8,11,17H,4-7,16H2/t11-/m1/s1
InChIKeyBLTWRQQEZHGUQI-LLVKDONJSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
CID 3016557
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
1-[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171177599
3-(1,4-diazepan-1-yl)aniline
CID 22478590
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820
ethyl 3,4-dihydroxy-4-(3-piperazin-1-ylphenyl)butanoate
CID 171898198
aniline;1-phenylpiperazine
CID 175572624

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine (CID 66510325) is (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine is N[C@H](c1cccc(N2CCNCC2)c1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
The InChIKey is BLTWRQQEZHGUQI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)11(16)9-2-1-3-10(8-9)18-6-4-17-5-7-18/h1-3,8,11,17H,4-7,16H2/t11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine has a molecular weight of 259.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine is sourced from PubChem (CID 66510325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).