2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride

C13H20ClFN2O2 — CID 171173408

IUPAC2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
SMILESCl.OCC[C@H](c1cccc(F)c1O)N1CCNCC1
InChIInChI=1S/C13H19FN2O2.ClH/c14-11-3-1-2-10(13(11)18)12(4-9-17)16-7-5-15-6-8-16;/h1-3,12,15,17-18H,4-9H2;1H/t12-;/m1./s1
InChIKeyLKMFBPCKCPXQES-UTONKHPSSA-N
MW290.77 g/mol
LogP1.28
Rot. Bonds4

About 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride

2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride (PubChem CID 171173408) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
PubChem CID171173408
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
SMILESCl.OCC[C@H](c1cccc(F)c1O)N1CCNCC1
InChIInChI=1S/C13H19FN2O2.ClH/c14-11-3-1-2-10(13(11)18)12(4-9-17)16-7-5-15-6-8-16;/h1-3,12,15,17-18H,4-9H2;1H/t12-;/m1./s1
InChIKeyLKMFBPCKCPXQES-UTONKHPSSA-N
XLogP1.28
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162750
(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174180
3-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol
CID 171189463
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307332
2-fluoro-6-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307333
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171168188
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171174280
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171302352
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162790
2-fluoro-6-[(1S)-1-piperazin-1-ylhept-6-enyl]phenol
CID 171162781
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
(4S)-4-(2-chloro-3-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174284

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride?
The IUPAC name of 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride (CID 171173408) is 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride.
What is the SMILES notation for 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride?
The canonical SMILES for 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride is Cl.OCC[C@H](c1cccc(F)c1O)N1CCNCC1.
What is the InChIKey of 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride?
The InChIKey is LKMFBPCKCPXQES-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c14-11-3-1-2-10(13(11)18)12(4-9-17)16-7-5-15-6-8-16;/h1-3,12,15,17-18H,4-9H2;1H/t12-;/m1./s1.
What are the key properties of 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride?
2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride is sourced from PubChem (CID 171173408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).