1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

C15H19F3N2S — CID 30983731

IUPAC1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN([C@@H]3CCSC3)CC2)c1
InChIInChI=1S/C15H19F3N2S/c16-15(17,18)12-2-1-3-13(10-12)19-5-7-20(8-6-19)14-4-9-21-11-14/h1-3,10,14H,4-9,11H2/t14-/m1/s1
InChIKeyOGILVWZUIHJFGQ-CQSZACIVSA-N
MW316.39 g/mol
LogP3.33
Rot. Bonds2

About 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 30983731) has the molecular formula C15H19F3N2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID30983731
Molecular FormulaC15H19F3N2S
Molecular Weight316.39 g/mol
Exact Mass316.12
IUPAC Name1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN([C@@H]3CCSC3)CC2)c1
InChIInChI=1S/C15H19F3N2S/c16-15(17,18)12-2-1-3-13(10-12)19-5-7-20(8-6-19)14-4-9-21-11-14/h1-3,10,14H,4-9,11H2/t14-/m1/s1
InChIKeyOGILVWZUIHJFGQ-CQSZACIVSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]oxolan-2-one
CID 91811552
N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 100684134
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29150756
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 30983731) is 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN([C@@H]3CCSC3)CC2)c1.
What is the InChIKey of 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OGILVWZUIHJFGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19F3N2S/c16-15(17,18)12-2-1-3-13(10-12)19-5-7-20(8-6-19)14-4-9-21-11-14/h1-3,10,14H,4-9,11H2/t14-/m1/s1.
What are the key properties of 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 316.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 30983731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).