1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine

C13H16N2OS — CID 171281680

IUPAC1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
SMILESc1csc([C@@H](c2ccoc2)N2CCNCC2)c1
InChIInChI=1S/C13H16N2OS/c1-2-12(17-9-1)13(11-3-8-16-10-11)15-6-4-14-5-7-15/h1-3,8-10,13-14H,4-7H2/t13-/m1/s1
InChIKeyYRGCZMWIEDUVOD-CYBMUJFWSA-N
MW248.35 g/mol
LogP2.34
Rot. Bonds3

About 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine

1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine (PubChem CID 171281680) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
PubChem CID171281680
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
SMILESc1csc([C@@H](c2ccoc2)N2CCNCC2)c1
InChIInChI=1S/C13H16N2OS/c1-2-12(17-9-1)13(11-3-8-16-10-11)15-6-4-14-5-7-15/h1-3,8-10,13-14H,4-7H2/t13-/m1/s1
InChIKeyYRGCZMWIEDUVOD-CYBMUJFWSA-N
XLogP2.34
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine (CID 171281680) is 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine is c1csc([C@@H](c2ccoc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine?
The InChIKey is YRGCZMWIEDUVOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-12(17-9-1)13(11-3-8-16-10-11)15-6-4-14-5-7-15/h1-3,8-10,13-14H,4-7H2/t13-/m1/s1.
What are the key properties of 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine?
1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine has a molecular weight of 248.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 171281680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).