1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C16H17Cl2F3N2OS — CID 171180714

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C16H16ClF3N2OS.ClH/c17-14-6-5-13(24-14)15(22-9-7-21-8-10-22)11-3-1-2-4-12(11)23-16(18,19)20;/h1-6,15,21H,7-10H2;1H/t15-;/m1./s1
InChIKeyVMZYZFIRYOWVLQ-XFULWGLBSA-N
MW413.29 g/mol
LogP4.72
Rot. Bonds4

About 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171180714) has the molecular formula C16H17Cl2F3N2OS and a molecular weight of 413.29 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171180714
Molecular FormulaC16H17Cl2F3N2OS
Molecular Weight413.29 g/mol
Exact Mass412.04
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C16H16ClF3N2OS.ClH/c17-14-6-5-13(24-14)15(22-9-7-21-8-10-22)11-3-1-2-4-12(11)23-16(18,19)20;/h1-6,15,21H,7-10H2;1H/t15-;/m1./s1
InChIKeyVMZYZFIRYOWVLQ-XFULWGLBSA-N
XLogP4.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-thiophen-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280475
1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176675
1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180732
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]piperazine
CID 171179683
1-[(S)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176975
1-[(R)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180369
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(R)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180368
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
CID 171179321
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171177362
1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280478
1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
CID 171179154

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171180714) is 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1ccccc1[C@H](c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is VMZYZFIRYOWVLQ-XFULWGLBSA-N. The full InChI is InChI=1S/C16H16ClF3N2OS.ClH/c17-14-6-5-13(24-14)15(22-9-7-21-8-10-22)11-3-1-2-4-12(11)23-16(18,19)20;/h1-6,15,21H,7-10H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 413.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171180714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).