1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine

C16H18F2N2OS — CID 171181424

IUPAC1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCOc1cc(F)c([C@H](c2ccsc2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H18F2N2OS/c1-21-12-8-13(17)15(14(18)9-12)16(11-2-7-22-10-11)20-5-3-19-4-6-20/h2,7-10,16,19H,3-6H2,1H3/t16-/m0/s1
InChIKeyFIXPACUBQVPLFP-INIZCTEOSA-N
MW324.40 g/mol
LogP3.03
Rot. Bonds4

About 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine

1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171181424) has the molecular formula C16H18F2N2OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171181424
Molecular FormulaC16H18F2N2OS
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCOc1cc(F)c([C@H](c2ccsc2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H18F2N2OS/c1-21-12-8-13(17)15(14(18)9-12)16(11-2-7-22-10-11)20-5-3-19-4-6-20/h2,7-10,16,19H,3-6H2,1H3/t16-/m0/s1
InChIKeyFIXPACUBQVPLFP-INIZCTEOSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-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-[(S)-(4-chloro-2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171177467
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175232
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(S)-(6-chloro-2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171180363
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine (CID 171181424) is 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine is COc1cc(F)c([C@H](c2ccsc2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is FIXPACUBQVPLFP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18F2N2OS/c1-21-12-8-13(17)15(14(18)9-12)16(11-2-7-22-10-11)20-5-3-19-4-6-20/h2,7-10,16,19H,3-6H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 324.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171181424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).