3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

C15H17FN2OS — CID 171175142

IUPAC3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESOc1ccc([C@@H](c2cccs2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H17FN2OS/c16-13-10-11(19)3-4-12(13)15(14-2-1-9-20-14)18-7-5-17-6-8-18/h1-4,9-10,15,17,19H,5-8H2/t15-/m0/s1
InChIKeyOXIOFVVXTUZSMA-HNNXBMFYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds3

About 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (PubChem CID 171175142) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
PubChem CID171175142
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESOc1ccc([C@@H](c2cccs2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H17FN2OS/c16-13-10-11(19)3-4-12(13)15(14-2-1-9-20-14)18-7-5-17-6-8-18/h1-4,9-10,15,17,19H,5-8H2/t15-/m0/s1
InChIKeyOXIOFVVXTUZSMA-HNNXBMFYSA-N
XLogP2.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171279064
2-amino-3-fluoro-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171300977
2-fluoro-3-methyl-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171300376
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3756282
4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,2,3-triol
CID 171286810
1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171175862
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(S)-(2-fluoro-5-iodophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171178136
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171274866

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (CID 171175142) is 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is Oc1ccc([C@@H](c2cccs2)N2CCNCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is OXIOFVVXTUZSMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-13-10-11(19)3-4-12(13)15(14-2-1-9-20-14)18-7-5-17-6-8-18/h1-4,9-10,15,17,19H,5-8H2/t15-/m0/s1.
What are the key properties of 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 292.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 171175142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).