[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol

C14H18N2O2S — CID 171281292

IUPAC[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol
SMILESOCc1ccc(C(c2cccs2)N2CCNCC2)o1
InChIInChI=1S/C14H18N2O2S/c17-10-11-3-4-12(18-11)14(13-2-1-9-19-13)16-7-5-15-6-8-16/h1-4,9,14-15,17H,5-8,10H2
InChIKeyFSGGPCHHTWIJOT-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.83
Rot. Bonds4

About [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol

[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol (PubChem CID 171281292) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol
PubChem CID171281292
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol
SMILESOCc1ccc(C(c2cccs2)N2CCNCC2)o1
InChIInChI=1S/C14H18N2O2S/c17-10-11-3-4-12(18-11)14(13-2-1-9-19-13)16-7-5-15-6-8-16/h1-4,9,14-15,17H,5-8,10H2
InChIKeyFSGGPCHHTWIJOT-UHFFFAOYSA-N
XLogP1.83
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(1R)-1-piperazin-1-ylethyl]furan-2-yl]methanol
CID 131424921
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
CID 171281680
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol
CID 171304772
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,2,3-triol
CID 171286810
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105

Frequently Asked Questions

What is the IUPAC name of [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol (CID 171281292) is [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol is OCc1ccc(C(c2cccs2)N2CCNCC2)o1.
What is the InChIKey of [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol?
The InChIKey is FSGGPCHHTWIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-10-11-3-4-12(18-11)14(13-2-1-9-19-13)16-7-5-15-6-8-16/h1-4,9,14-15,17H,5-8,10H2.
What are the key properties of [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol?
[5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 171281292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).