2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

C15H25Cl2FN2O — CID 171307332

IUPAC2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1cccc(F)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2O.2ClH/c1-2-3-7-14(18-10-8-17-9-11-18)12-5-4-6-13(16)15(12)19;;/h4-6,14,17,19H,2-3,7-11H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyZOXBBJBOULDRTJ-FMOMHUKBSA-N
MW339.28 g/mol
LogP3.51
Rot. Bonds5

About 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (PubChem CID 171307332) has the molecular formula C15H25Cl2FN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
PubChem CID171307332
Molecular FormulaC15H25Cl2FN2O
Molecular Weight339.28 g/mol
Exact Mass338.13
IUPAC Name2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1cccc(F)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2O.2ClH/c1-2-3-7-14(18-10-8-17-9-11-18)12-5-4-6-13(16)15(12)19;;/h4-6,14,17,19H,2-3,7-11H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyZOXBBJBOULDRTJ-FMOMHUKBSA-N
XLogP3.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171168188
2-fluoro-6-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307333
2-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162750
2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171173408
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309515
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
2-fluoro-6-[(1S)-1-piperazin-1-ylhept-6-enyl]phenol
CID 171162781
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The IUPAC name of 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (CID 171307332) is 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.
What is the SMILES notation for 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The canonical SMILES for 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is CCCC[C@H](c1cccc(F)c1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The InChIKey is ZOXBBJBOULDRTJ-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H23FN2O.2ClH/c1-2-3-7-14(18-10-8-17-9-11-18)12-5-4-6-13(16)15(12)19;;/h4-6,14,17,19H,2-3,7-11H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride has a molecular weight of 339.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is sourced from PubChem (CID 171307332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).