[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol

C12H17FN2O — CID 43121028

IUPAC[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccc(CO)cc2F)CC1
InChIInChI=1S/C12H17FN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8,16H,4-7,9H2,1H3
InChIKeyZASYEYNRJJRDFF-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.07
Rot. Bonds2

About [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol

[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 43121028) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
PubChem CID43121028
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccc(CO)cc2F)CC1
InChIInChI=1S/C12H17FN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8,16H,4-7,9H2,1H3
InChIKeyZASYEYNRJJRDFF-UHFFFAOYSA-N
XLogP1.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol (CID 43121028) is [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol is CN1CCN(c2ccc(CO)cc2F)CC1.
What is the InChIKey of [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is ZASYEYNRJJRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 43121028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).