1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride

C16H19ClF2N2O2 — CID 171178044

IUPAC1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(F)c([C@@H](c2ccco2)N2CCNCC2)c1F.Cl
InChIInChI=1S/C16H18F2N2O2.ClH/c1-21-12-5-4-11(17)14(15(12)18)16(13-3-2-10-22-13)20-8-6-19-7-9-20;/h2-5,10,16,19H,6-9H2,1H3;1H/t16-;/m1./s1
InChIKeyHYHAEPIUIMUGLX-PKLMIRHRSA-N
MW344.79 g/mol
LogP2.98
Rot. Bonds4

About 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride

1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (PubChem CID 171178044) has the molecular formula C16H19ClF2N2O2 and a molecular weight of 344.79 g/mol. Its IUPAC name is 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
PubChem CID171178044
Molecular FormulaC16H19ClF2N2O2
Molecular Weight344.79 g/mol
Exact Mass344.11
IUPAC Name1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(F)c([C@@H](c2ccco2)N2CCNCC2)c1F.Cl
InChIInChI=1S/C16H18F2N2O2.ClH/c1-21-12-5-4-11(17)14(15(12)18)16(13-3-2-10-22-13)20-8-6-19-7-9-20;/h2-5,10,16,19H,6-9H2,1H3;1H/t16-;/m1./s1
InChIKeyHYHAEPIUIMUGLX-PKLMIRHRSA-N
XLogP2.98
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171181458
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(S)-(3,6-dichloro-2-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178008
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(S)-(6-chloro-2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]piperazine
CID 171177034
1-[(1S)-1-(2,6-difluoro-3-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171167759
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180282

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (CID 171178044) is 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is COc1ccc(F)c([C@@H](c2ccco2)N2CCNCC2)c1F.Cl.
What is the InChIKey of 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is HYHAEPIUIMUGLX-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H18F2N2O2.ClH/c1-21-12-5-4-11(17)14(15(12)18)16(13-3-2-10-22-13)20-8-6-19-7-9-20;/h2-5,10,16,19H,6-9H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171178044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).