1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine

C16H19FN2S — CID 171179397

IUPAC1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCc1ccc(F)cc1[C@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H19FN2S/c1-12-2-3-14(17)10-15(12)16(13-4-9-20-11-13)19-7-5-18-6-8-19/h2-4,9-11,16,18H,5-8H2,1H3/t16-/m0/s1
InChIKeyBELLHOPEGSKOQV-INIZCTEOSA-N
MW290.41 g/mol
LogP3.19
Rot. Bonds3

About 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine

1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171179397) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171179397
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCc1ccc(F)cc1[C@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H19FN2S/c1-12-2-3-14(17)10-15(12)16(13-4-9-20-11-13)19-7-5-18-6-8-19/h2-4,9-11,16,18H,5-8H2,1H3/t16-/m0/s1
InChIKeyBELLHOPEGSKOQV-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-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171178801
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(S)-(6-chloro-2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171180363
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 4013561
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(S)-(4-chloro-2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171177467
1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171179125

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine (CID 171179397) is 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine is Cc1ccc(F)cc1[C@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is BELLHOPEGSKOQV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-12-2-3-14(17)10-15(12)16(13-4-9-20-11-13)19-7-5-18-6-8-19/h2-4,9-11,16,18H,5-8H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine?
1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-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-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).