4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

C13H17FN2O — CID 171168152

IUPAC4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc(F)ccc1O)N1CCNCC1
InChIInChI=1S/C13H17FN2O/c1-2-12(16-7-5-15-6-8-16)11-9-10(14)3-4-13(11)17/h2-4,9,12,15,17H,1,5-8H2/t12-/m1/s1
InChIKeyUEMGYSIQSTYWCZ-GFCCVEGCSA-N
MW236.29 g/mol
LogP1.66
Rot. Bonds3

About 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 171168152) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID171168152
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc(F)ccc1O)N1CCNCC1
InChIInChI=1S/C13H17FN2O/c1-2-12(16-7-5-15-6-8-16)11-9-10(14)3-4-13(11)17/h2-4,9,12,15,17H,1,5-8H2/t12-/m1/s1
InChIKeyUEMGYSIQSTYWCZ-GFCCVEGCSA-N
XLogP1.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2-chloro-5-fluorophenyl)prop-2-enyl]piperazine
CID 171169915
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine
CID 171162999
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine;hydrochloride
CID 171163000
2-[(1S)-1-piperazin-1-ylprop-2-enyl]-4-(trifluoromethyl)phenol;dihydrochloride
CID 171299039
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
1-[(1R)-1-(2-bromo-4-fluorophenyl)prop-2-enyl]piperazine
CID 171168872
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171166146
1-[(1S)-1-(4-fluoro-2-methylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171275255
1-[(1S)-1-(5-fluoro-2-nitrophenyl)prop-2-enyl]piperazine
CID 171278137
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171162985
4-fluoro-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171175019
2,3-difluoro-6-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171297559

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (CID 171168152) is 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@H](c1cc(F)ccc1O)N1CCNCC1.
What is the InChIKey of 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is UEMGYSIQSTYWCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-12(16-7-5-15-6-8-16)11-9-10(14)3-4-13(11)17/h2-4,9,12,15,17H,1,5-8H2/t12-/m1/s1.
What are the key properties of 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol has a molecular weight of 236.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 171168152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).