1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine

C16H19FN2S — CID 171175555

IUPAC1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCc1ccc([C@@H](c2ccsc2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H19FN2S/c1-12-2-3-14(15(17)10-12)16(13-4-9-20-11-13)19-7-5-18-6-8-19/h2-4,9-11,16,18H,5-8H2,1H3/t16-/m1/s1
InChIKeyXCKRAIQEXAWYMD-MRXNPFEDSA-N
MW290.41 g/mol
LogP3.19
Rot. Bonds3

About 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine

1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171175555) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171175555
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCc1ccc([C@@H](c2ccsc2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H19FN2S/c1-12-2-3-14(15(17)10-12)16(13-4-9-20-11-13)19-7-5-18-6-8-19/h2-4,9-11,16,18H,5-8H2,1H3/t16-/m1/s1
InChIKeyXCKRAIQEXAWYMD-MRXNPFEDSA-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

Analyze 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171179397
1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171178801
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
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
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 171181424
2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178386
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4-methylphenyl)methyl]piperazine;hydrochloride
CID 171178939

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine (CID 171175555) is 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine is Cc1ccc([C@@H](c2ccsc2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is XCKRAIQEXAWYMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-12-2-3-14(15(17)10-12)16(13-4-9-20-11-13)19-7-5-18-6-8-19/h2-4,9-11,16,18H,5-8H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine?
1-[(S)-(2-fluoro-4-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-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171175555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).