1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine

C13H19F3N2S — CID 171302582

IUPAC1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine
SMILESCc1ccsc1[C@H](CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H19F3N2S/c1-10-3-9-19-12(10)11(2-4-13(14,15)16)18-7-5-17-6-8-18/h3,9,11,17H,2,4-8H2,1H3/t11-/m0/s1
InChIKeyHNAUTSSBQSFDIL-NSHDSACASA-N
MW292.37 g/mol
LogP3.35
Rot. Bonds4

About 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine

1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine (PubChem CID 171302582) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine
PubChem CID171302582
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine
SMILESCc1ccsc1[C@H](CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H19F3N2S/c1-10-3-9-19-12(10)11(2-4-13(14,15)16)18-7-5-17-6-8-18/h3,9,11,17H,2,4-8H2,1H3/t11-/m0/s1
InChIKeyHNAUTSSBQSFDIL-NSHDSACASA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine?
The IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine (CID 171302582) is 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine is Cc1ccsc1[C@H](CCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine?
The InChIKey is HNAUTSSBQSFDIL-NSHDSACASA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-10-3-9-19-12(10)11(2-4-13(14,15)16)18-7-5-17-6-8-18/h3,9,11,17H,2,4-8H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine?
1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine has a molecular weight of 292.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butyl]piperazine is sourced from PubChem (CID 171302582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).