2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol

C9H19FN2O — CID 81114629

IUPAC2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCF)CC1
InChIInChI=1S/C9H19FN2O/c10-2-1-3-11-4-6-12(7-5-11)8-9-13/h13H,1-9H2
InChIKeyQMEYAGMFWFABOG-UHFFFAOYSA-N
MW190.26 g/mol
LogP-0.04
Rot. Bonds5

About 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol

2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol (PubChem CID 81114629) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol
PubChem CID81114629
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCF)CC1
InChIInChI=1S/C9H19FN2O/c10-2-1-3-11-4-6-12(7-5-11)8-9-13/h13H,1-9H2
InChIKeyQMEYAGMFWFABOG-UHFFFAOYSA-N
XLogP-0.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol (CID 81114629) is 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol is OCCN1CCN(CCCF)CC1.
What is the InChIKey of 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol?
The InChIKey is QMEYAGMFWFABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c10-2-1-3-11-4-6-12(7-5-11)8-9-13/h13H,1-9H2.
What are the key properties of 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol?
2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol has a molecular weight of 190.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 81114629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).