1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride

C15H17Cl2FN2S — CID 171179125

IUPAC1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](c2ccsc2)N2CCNCC2)c1Cl
InChIInChI=1S/C15H16ClFN2S.ClH/c16-14-12(2-1-3-13(14)17)15(11-4-9-20-10-11)19-7-5-18-6-8-19;/h1-4,9-10,15,18H,5-8H2;1H/t15-;/m0./s1
InChIKeyHPRAHNVOGIBFSP-RSAXXLAASA-N
MW347.29 g/mol
LogP3.96
Rot. Bonds3

About 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride

1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride (PubChem CID 171179125) has the molecular formula C15H17Cl2FN2S and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
PubChem CID171179125
Molecular FormulaC15H17Cl2FN2S
Molecular Weight347.29 g/mol
Exact Mass346.05
IUPAC Name1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](c2ccsc2)N2CCNCC2)c1Cl
InChIInChI=1S/C15H16ClFN2S.ClH/c16-14-12(2-1-3-13(14)17)15(11-4-9-20-10-11)19-7-5-18-6-8-19;/h1-4,9-10,15,18H,5-8H2;1H/t15-;/m0./s1
InChIKeyHPRAHNVOGIBFSP-RSAXXLAASA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178386
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175232
1-[(S)-(4-chloro-2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171177467
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171177510
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178362
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-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171178801
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride (CID 171179125) is 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride is Cl.Fc1cccc([C@H](c2ccsc2)N2CCNCC2)c1Cl.
What is the InChIKey of 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride?
The InChIKey is HPRAHNVOGIBFSP-RSAXXLAASA-N. The full InChI is InChI=1S/C15H16ClFN2S.ClH/c16-14-12(2-1-3-13(14)17)15(11-4-9-20-10-11)19-7-5-18-6-8-19;/h1-4,9-10,15,18H,5-8H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride?
1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171179125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).