1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride

C15H17BrClFN2O — CID 171175353

IUPAC1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](c2ccco2)N2CCNCC2)cc1Br
InChIInChI=1S/C15H16BrFN2O.ClH/c16-12-10-11(3-4-13(12)17)15(14-2-1-9-20-14)19-7-5-18-6-8-19;/h1-4,9-10,15,18H,5-8H2;1H/t15-;/m0./s1
InChIKeyVMYUTCGFJQUHAD-RSAXXLAASA-N
MW375.67 g/mol
LogP3.60
Rot. Bonds3

About 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride

1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (PubChem CID 171175353) has the molecular formula C15H17BrClFN2O and a molecular weight of 375.67 g/mol. Its IUPAC name is 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
PubChem CID171175353
Molecular FormulaC15H17BrClFN2O
Molecular Weight375.67 g/mol
Exact Mass374.02
IUPAC Name1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](c2ccco2)N2CCNCC2)cc1Br
InChIInChI=1S/C15H16BrFN2O.ClH/c16-12-10-11(3-4-13(12)17)15(14-2-1-9-20-14)19-7-5-18-6-8-19;/h1-4,9-10,15,18H,5-8H2;1H/t15-;/m0./s1
InChIKeyVMYUTCGFJQUHAD-RSAXXLAASA-N
XLogP3.60
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;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-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-[3-chloro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171177928
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[(S)-[3-bromo-5-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176803
1-[furan-2-yl-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 4669112
1-[furan-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3250165
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (CID 171175353) is 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is Cl.Fc1ccc([C@@H](c2ccco2)N2CCNCC2)cc1Br.
What is the InChIKey of 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is VMYUTCGFJQUHAD-RSAXXLAASA-N. The full InChI is InChI=1S/C15H16BrFN2O.ClH/c16-12-10-11(3-4-13(12)17)15(14-2-1-9-20-14)19-7-5-18-6-8-19;/h1-4,9-10,15,18H,5-8H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 375.67 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171175353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).