4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride

C15H18ClFN2O2 — CID 171175035

IUPAC4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(F)cc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C15H17FN2O2.ClH/c16-11-3-4-13(19)12(10-11)15(14-2-1-9-20-14)18-7-5-17-6-8-18;/h1-4,9-10,15,17,19H,5-8H2;1H/t15-;/m0./s1
InChIKeyZKRIZVZLXRGNJC-RSAXXLAASA-N
MW312.77 g/mol
LogP2.54
Rot. Bonds3

About 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride

4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride (PubChem CID 171175035) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
PubChem CID171175035
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(F)cc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C15H17FN2O2.ClH/c16-11-3-4-13(19)12(10-11)15(14-2-1-9-20-14)18-7-5-17-6-8-18;/h1-4,9-10,15,17,19H,5-8H2;1H/t15-;/m0./s1
InChIKeyZKRIZVZLXRGNJC-RSAXXLAASA-N
XLogP2.54
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
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-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
4-fluoro-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171175019
2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
CID 171168266
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride?
The IUPAC name of 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride (CID 171175035) is 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride is Cl.Oc1ccc(F)cc1[C@@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride?
The InChIKey is ZKRIZVZLXRGNJC-RSAXXLAASA-N. The full InChI is InChI=1S/C15H17FN2O2.ClH/c16-11-3-4-13(19)12(10-11)15(14-2-1-9-20-14)18-7-5-17-6-8-18;/h1-4,9-10,15,17,19H,5-8H2;1H/t15-;/m0./s1.
What are the key properties of 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride?
4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171175035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).