3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol

C9H19FN2O — CID 45115767

IUPAC3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(CCF)CC1
InChIInChI=1S/C9H19FN2O/c10-2-4-12-7-5-11(6-8-12)3-1-9-13/h13H,1-9H2
InChIKeyWNOMASYNKGMSCC-UHFFFAOYSA-N
MW190.26 g/mol
LogP-0.04
Rot. Bonds5

About 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol

3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 45115767) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID45115767
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(CCF)CC1
InChIInChI=1S/C9H19FN2O/c10-2-4-12-7-5-11(6-8-12)3-1-9-13/h13H,1-9H2
InChIKeyWNOMASYNKGMSCC-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 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol (CID 45115767) is 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol is OCCCN1CCN(CCF)CC1.
What is the InChIKey of 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is WNOMASYNKGMSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c10-2-4-12-7-5-11(6-8-12)3-1-9-13/h13H,1-9H2.
What are the key properties of 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol 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 3-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 45115767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).