2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol

C13H19FN2O — CID 171300674

IUPAC2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol
SMILESCc1cc(F)c(O)c([C@@H](C)N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-9-7-11(13(17)12(14)8-9)10(2)16-5-3-15-4-6-16/h7-8,10,15,17H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyTZHONMMVLPQSFL-SNVBAGLBSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds2

About 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol

2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol (PubChem CID 171300674) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol
PubChem CID171300674
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol
SMILESCc1cc(F)c(O)c([C@@H](C)N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-9-7-11(13(17)12(14)8-9)10(2)16-5-3-15-4-6-16/h7-8,10,15,17H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyTZHONMMVLPQSFL-SNVBAGLBSA-N
XLogP1.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
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-4-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171298227
2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171300679
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-fluoro-4-methylphenol;dihydrochloride
CID 171300705
2-fluoro-4-methyl-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171298231
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
2-bromo-4-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171298115
2-fluoro-4-methyl-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171298220
2-chloro-3-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171297795
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
2-chloro-3-fluoro-6-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300275
3,6-difluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171300074
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol?
The IUPAC name of 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol (CID 171300674) is 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol.
What is the SMILES notation for 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol?
The canonical SMILES for 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol is Cc1cc(F)c(O)c([C@@H](C)N2CCNCC2)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol?
The InChIKey is TZHONMMVLPQSFL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-7-11(13(17)12(14)8-9)10(2)16-5-3-15-4-6-16/h7-8,10,15,17H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol?
2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol has a molecular weight of 238.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol is sourced from PubChem (CID 171300674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).