2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride

C15H18ClFN2OS — CID 171178362

IUPAC2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc([C@H](c2ccsc2)N2CCNCC2)cc1F
InChIInChI=1S/C15H17FN2OS.ClH/c16-13-9-11(1-2-14(13)19)15(12-3-8-20-10-12)18-6-4-17-5-7-18;/h1-3,8-10,15,17,19H,4-7H2;1H/t15-;/m1./s1
InChIKeyLGRBMWAULOIJMD-XFULWGLBSA-N
MW328.84 g/mol
LogP3.01
Rot. Bonds3

About 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride

2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride (PubChem CID 171178362) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
PubChem CID171178362
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC Name2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc([C@H](c2ccsc2)N2CCNCC2)cc1F
InChIInChI=1S/C15H17FN2OS.ClH/c16-13-9-11(1-2-14(13)19)15(12-3-8-20-10-12)18-6-4-17-5-7-18;/h1-3,8-10,15,17,19H,4-7H2;1H/t15-;/m1./s1
InChIKeyLGRBMWAULOIJMD-XFULWGLBSA-N
XLogP3.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171180508
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-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
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)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039
1-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3732613
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175232

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
The IUPAC name of 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride (CID 171178362) is 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride is Cl.Oc1ccc([C@H](c2ccsc2)N2CCNCC2)cc1F.
What is the InChIKey of 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
The InChIKey is LGRBMWAULOIJMD-XFULWGLBSA-N. The full InChI is InChI=1S/C15H17FN2OS.ClH/c16-13-9-11(1-2-14(13)19)15(12-3-8-20-10-12)18-6-4-17-5-7-18;/h1-3,8-10,15,17,19H,4-7H2;1H/t15-;/m1./s1.
What are the key properties of 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171178362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).