1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine

C16H19FN2S — CID 171175862

IUPAC1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCc1ccc(F)c([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H19FN2S/c1-12-4-5-14(17)13(11-12)16(15-3-2-10-20-15)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m0/s1
InChIKeyQDJSKVHUESRLKA-INIZCTEOSA-N
MW290.41 g/mol
LogP3.19
Rot. Bonds3

About 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171175862) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171175862
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCc1ccc(F)c([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H19FN2S/c1-12-4-5-14(17)13(11-12)16(15-3-2-10-20-15)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m0/s1
InChIKeyQDJSKVHUESRLKA-INIZCTEOSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(S)-(2-fluoro-5-iodophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171178136
1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280132
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171178153
1-[(S)-(2-fluoro-5-nitrophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171290741
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3756282
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
2-fluoro-3-methyl-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171300376
1-[(R)-thiophen-2-yl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179538

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine (CID 171175862) is 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine is Cc1ccc(F)c([C@@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is QDJSKVHUESRLKA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-12-4-5-14(17)13(11-12)16(15-3-2-10-20-15)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171175862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).