(2-fluoro-1,4-dimethylpiperazin-2-yl)methanol

C7H15FN2O — CID 177260503

IUPAC(2-fluoro-1,4-dimethylpiperazin-2-yl)methanol
SMILESCN1CCN(C)C(F)(CO)C1
InChIInChI=1S/C7H15FN2O/c1-9-3-4-10(2)7(8,5-9)6-11/h11H,3-6H2,1-2H3
InChIKeySTLBZJXYSCDNNP-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.48
Rot. Bonds1

About (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol

(2-fluoro-1,4-dimethylpiperazin-2-yl)methanol (PubChem CID 177260503) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-1,4-dimethylpiperazin-2-yl)methanol
PubChem CID177260503
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(2-fluoro-1,4-dimethylpiperazin-2-yl)methanol
SMILESCN1CCN(C)C(F)(CO)C1
InChIInChI=1S/C7H15FN2O/c1-9-3-4-10(2)7(8,5-9)6-11/h11H,3-6H2,1-2H3
InChIKeySTLBZJXYSCDNNP-UHFFFAOYSA-N
XLogP-0.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1,4-Dimethylpiperazin-2-yl)methanol
CID 2779170
2-Fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 17980523
3-[4-(2-Fluoroethyl)piperazin-1-YL]propan-1-OL
CID 45115767
(2S)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 57350202
(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 69070198
1-[4-(2-Fluoroethyl)piperazin-1-yl]propan-1-ol
CID 141072893
1-Fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 165160446
1-Fluoro-2-(4-methylpiperazin-1-yl)ethanol
CID 167149180
(1,4-Ditert-butylpiperazin-2-yl)-fluoromethanol
CID 168764694
[1,4-Di(propan-2-yl)piperazin-2-yl]-fluoromethanol
CID 169848837
2-[4-(3-Fluoropropyl)piperazin-1-yl]ethanol
CID 81114629
3-(3-Fluoro-4-methylpiperazin-1-yl)propan-1-ol
CID 144814393

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol?
The IUPAC name of (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol (CID 177260503) is (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol.
What is the SMILES notation for (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol?
The canonical SMILES for (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol is CN1CCN(C)C(F)(CO)C1.
What is the InChIKey of (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol?
The InChIKey is STLBZJXYSCDNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-9-3-4-10(2)7(8,5-9)6-11/h11H,3-6H2,1-2H3.
What are the key properties of (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol?
(2-fluoro-1,4-dimethylpiperazin-2-yl)methanol has a molecular weight of 162.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1,4-dimethylpiperazin-2-yl)methanol is sourced from PubChem (CID 177260503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).