1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine

C15H16F2N2S — CID 171179419

IUPAC1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1cc(F)cc([C@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C15H16F2N2S/c16-13-7-12(8-14(17)9-13)15(11-1-6-20-10-11)19-4-2-18-3-5-19/h1,6-10,15,18H,2-5H2/t15-/m0/s1
InChIKeyYKWTXFWVPUZSEA-HNNXBMFYSA-N
MW294.37 g/mol
LogP3.02
Rot. Bonds3

About 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine

1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171179419) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171179419
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1cc(F)cc([C@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C15H16F2N2S/c16-13-7-12(8-14(17)9-13)15(11-1-6-20-10-11)19-4-2-18-3-5-19/h1,6-10,15,18H,2-5H2/t15-/m0/s1
InChIKeyYKWTXFWVPUZSEA-HNNXBMFYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178362
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171178801
1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171179397
1-[(S)-(4-chloro-2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171177467
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171180508
1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171177949
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175232
1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171176572

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine (CID 171179419) is 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine is Fc1cc(F)cc([C@H](c2ccsc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is YKWTXFWVPUZSEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c16-13-7-12(8-14(17)9-13)15(11-1-6-20-10-11)19-4-2-18-3-5-19/h1,6-10,15,18H,2-5H2/t15-/m0/s1.
What are the key properties of 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine?
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 294.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171179419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).