2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride

C15H18ClFN2OS — CID 171178386

IUPAC2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1c(F)cccc1[C@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C15H17FN2OS.ClH/c16-13-3-1-2-12(15(13)19)14(11-4-9-20-10-11)18-7-5-17-6-8-18;/h1-4,9-10,14,17,19H,5-8H2;1H/t14-;/m0./s1
InChIKeyUMCYXFYOWDXSQR-UQKRIMTDSA-N
MW328.84 g/mol
LogP3.01
Rot. Bonds3

About 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride

2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride (PubChem CID 171178386) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
PubChem CID171178386
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC Name2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1c(F)cccc1[C@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C15H17FN2OS.ClH/c16-13-3-1-2-12(15(13)19)14(11-4-9-20-10-11)18-7-5-17-6-8-18;/h1-4,9-10,14,17,19H,5-8H2;1H/t14-;/m0./s1
InChIKeyUMCYXFYOWDXSQR-UQKRIMTDSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171179125
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178362
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175232
2-fluoro-6-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol;dihydrochloride
CID 171273086
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171177510
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
2-fluoro-6-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171285713
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
The IUPAC name of 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride (CID 171178386) is 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride is Cl.Oc1c(F)cccc1[C@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
The InChIKey is UMCYXFYOWDXSQR-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H17FN2OS.ClH/c16-13-3-1-2-12(15(13)19)14(11-4-9-20-10-11)18-7-5-17-6-8-18;/h1-4,9-10,14,17,19H,5-8H2;1H/t14-;/m0./s1.
What are the key properties of 2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride?
2-fluoro-6-[(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-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171178386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).