2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol

C16H25FN2O — CID 129264260

IUPAC2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1cc(F)cc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C16H25FN2O/c1-13(2)15-9-14(10-16(17)11-15)12-19-5-3-18(4-6-19)7-8-20/h9-11,13,20H,3-8,12H2,1-2H3
InChIKeyLQSKVKWZRWZMST-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 129264260) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID129264260
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1cc(F)cc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C16H25FN2O/c1-13(2)15-9-14(10-16(17)11-15)12-19-5-3-18(4-6-19)7-8-20/h9-11,13,20H,3-8,12H2,1-2H3
InChIKeyLQSKVKWZRWZMST-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol 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 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol (CID 129264260) is 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol is CC(C)c1cc(F)cc(CN2CCN(CCO)CC2)c1.
What is the InChIKey of 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is LQSKVKWZRWZMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(2)15-9-14(10-16(17)11-15)12-19-5-3-18(4-6-19)7-8-20/h9-11,13,20H,3-8,12H2,1-2H3.
What are the key properties of 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 129264260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).