1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine

C15H16ClFN2S — CID 171175232

IUPAC1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1cccc(Cl)c1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S/c16-12-2-1-3-13(17)14(12)15(11-4-9-20-10-11)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m1/s1
InChIKeyWLYKXFNLILNLHB-OAHLLOKOSA-N
MW310.82 g/mol
LogP3.54
Rot. Bonds3

About 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine

1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171175232) has the molecular formula C15H16ClFN2S and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171175232
Molecular FormulaC15H16ClFN2S
Molecular Weight310.82 g/mol
Exact Mass310.07
IUPAC Name1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1cccc(Cl)c1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S/c16-12-2-1-3-13(17)14(12)15(11-4-9-20-10-11)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m1/s1
InChIKeyWLYKXFNLILNLHB-OAHLLOKOSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.54
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
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-[(S)-(6-chloro-2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171180363
2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178386
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(S)-(2-chloro-6-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171274068
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171163132
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 171181424
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178362

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine (CID 171175232) is 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine is Fc1cccc(Cl)c1[C@@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is WLYKXFNLILNLHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-12-2-1-3-13(17)14(12)15(11-4-9-20-10-11)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m1/s1.
What are the key properties of 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 310.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171175232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).