3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

C15H16F2N2OS — CID 171297657

IUPAC3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESOc1cc(F)cc(F)c1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16F2N2OS/c16-10-8-11(17)14(12(20)9-10)15(13-2-1-7-21-13)19-5-3-18-4-6-19/h1-2,7-9,15,18,20H,3-6H2/t15-/m0/s1
InChIKeyGFSZEIGVNRNIFD-HNNXBMFYSA-N
MW310.37 g/mol
LogP2.73
Rot. Bonds3

About 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (PubChem CID 171297657) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
PubChem CID171297657
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESOc1cc(F)cc(F)c1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16F2N2OS/c16-10-8-11(17)14(12(20)9-10)15(13-2-1-7-21-13)19-5-3-18-4-6-19/h1-2,7-9,15,18,20H,3-6H2/t15-/m0/s1
InChIKeyGFSZEIGVNRNIFD-HNNXBMFYSA-N
XLogP2.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291239
6-chloro-3-fluoro-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171302056
1-[(R)-thiophen-2-yl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179538
1-[(S)-thiophen-2-yl-(2,3,6-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290300
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284051
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276674
1-[(R)-(3-chloro-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171180326
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (CID 171297657) is 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is Oc1cc(F)cc(F)c1[C@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is GFSZEIGVNRNIFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c16-10-8-11(17)14(12(20)9-10)15(13-2-1-7-21-13)19-5-3-18-4-6-19/h1-2,7-9,15,18,20H,3-6H2/t15-/m0/s1.
What are the key properties of 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 310.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 171297657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).