2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol

C13H19FN2O — CID 62119944

IUPAC2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1cc(C(CO)N2CCNCC2)ccc1F
InChIInChI=1S/C13H19FN2O/c1-10-8-11(2-3-12(10)14)13(9-17)16-6-4-15-5-7-16/h2-3,8,13,15,17H,4-7,9H2,1H3
InChIKeySHZNTOQMZHPIQG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.07
Rot. Bonds3

About 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol

2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol (PubChem CID 62119944) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
PubChem CID62119944
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1cc(C(CO)N2CCNCC2)ccc1F
InChIInChI=1S/C13H19FN2O/c1-10-8-11(2-3-12(10)14)13(9-17)16-6-4-15-5-7-16/h2-3,8,13,15,17H,4-7,9H2,1H3
InChIKeySHZNTOQMZHPIQG-UHFFFAOYSA-N
XLogP1.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173568
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173554
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2R)-2-(4-fluoro-3-nitrophenyl)-2-piperazin-1-ylethanol
CID 171183501
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol (CID 62119944) is 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol is Cc1cc(C(CO)N2CCNCC2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is SHZNTOQMZHPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-8-11(2-3-12(10)14)13(9-17)16-6-4-15-5-7-16/h2-3,8,13,15,17H,4-7,9H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol?
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 238.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 62119944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).