1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine

C15H16ClFN2O — CID 171176466

IUPAC1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
SMILESFc1ccc(Cl)c([C@@H](c2ccco2)N2CCNCC2)c1
InChIInChI=1S/C15H16ClFN2O/c16-13-4-3-11(17)10-12(13)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m0/s1
InChIKeyWJKQOIRMCQAAKE-HNNXBMFYSA-N
MW294.76 g/mol
LogP3.07
Rot. Bonds3

About 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine

1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171176466) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171176466
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
SMILESFc1ccc(Cl)c([C@@H](c2ccco2)N2CCNCC2)c1
InChIInChI=1S/C15H16ClFN2O/c16-13-4-3-11(17)10-12(13)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m0/s1
InChIKeyWJKQOIRMCQAAKE-HNNXBMFYSA-N
XLogP3.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
CID 171175035
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
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-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-(6-chloro-2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]piperazine
CID 171177034
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
CID 45277417
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine (CID 171176466) is 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine is Fc1ccc(Cl)c([C@@H](c2ccco2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is WJKQOIRMCQAAKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c16-13-4-3-11(17)10-12(13)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine?
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine has a molecular weight of 294.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171176466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).