1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol

C9H19FN2O — CID 165160446

IUPAC1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN(CC(O)F)CC1
InChIInChI=1S/C9H19FN2O/c1-8(2)12-5-3-11(4-6-12)7-9(10)13/h8-9,13H,3-7H2,1-2H3
InChIKeyMWCYVTUEIIFTMB-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.30
Rot. Bonds3

About 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol

1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 165160446) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol
PubChem CID165160446
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN(CC(O)F)CC1
InChIInChI=1S/C9H19FN2O/c1-8(2)12-5-3-11(4-6-12)7-9(10)13/h8-9,13H,3-7H2,1-2H3
InChIKeyMWCYVTUEIIFTMB-UHFFFAOYSA-N
XLogP0.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol (CID 165160446) is 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol is CC(C)N1CCN(CC(O)F)CC1.
What is the InChIKey of 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The InChIKey is MWCYVTUEIIFTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-8(2)12-5-3-11(4-6-12)7-9(10)13/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 190.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 165160446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).