1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride

C16H19ClF2N2OS — CID 171177510

IUPAC1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
SMILESCl.FC(F)Oc1ccccc1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H18F2N2OS.ClH/c17-16(18)21-14-4-2-1-3-13(14)15(12-5-10-22-11-12)20-8-6-19-7-9-20;/h1-5,10-11,15-16,19H,6-9H2;1H/t15-;/m1./s1
InChIKeyRBAACNZYIVWHMV-XFULWGLBSA-N
MW360.86 g/mol
LogP3.77
Rot. Bonds5

About 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride

1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride (PubChem CID 171177510) has the molecular formula C16H19ClF2N2OS and a molecular weight of 360.86 g/mol. Its IUPAC name is 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
PubChem CID171177510
Molecular FormulaC16H19ClF2N2OS
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
SMILESCl.FC(F)Oc1ccccc1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H18F2N2OS.ClH/c17-16(18)21-14-4-2-1-3-13(14)15(12-5-10-22-11-12)20-8-6-19-7-9-20;/h1-5,10-11,15-16,19H,6-9H2;1H/t15-;/m1./s1
InChIKeyRBAACNZYIVWHMV-XFULWGLBSA-N
XLogP3.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171179125
2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178386
1-[(R)-thiophen-3-yl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171177575
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3815578
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride (CID 171177510) is 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride is Cl.FC(F)Oc1ccccc1[C@@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride?
The InChIKey is RBAACNZYIVWHMV-XFULWGLBSA-N. The full InChI is InChI=1S/C16H18F2N2OS.ClH/c17-16(18)21-14-4-2-1-3-13(14)15(12-5-10-22-11-12)20-8-6-19-7-9-20;/h1-5,10-11,15-16,19H,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride?
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride has a molecular weight of 360.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171177510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).