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

C9H19FN2O — CID 141072893

IUPAC1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCCC(O)N1CCN(CCF)CC1
InChIInChI=1S/C9H19FN2O/c1-2-9(13)12-7-5-11(4-3-10)6-8-12/h9,13H,2-8H2,1H3
InChIKeyCAEKYUFQVZGWCC-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.30
Rot. Bonds4

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

1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 141072893) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID141072893
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCCC(O)N1CCN(CCF)CC1
InChIInChI=1S/C9H19FN2O/c1-2-9(13)12-7-5-11(4-3-10)6-8-12/h9,13H,2-8H2,1H3
InChIKeyCAEKYUFQVZGWCC-UHFFFAOYSA-N
XLogP0.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol (CID 141072893) is 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol is CCC(O)N1CCN(CCF)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is CAEKYUFQVZGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-2-9(13)12-7-5-11(4-3-10)6-8-12/h9,13H,2-8H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol?
1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 190.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 141072893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).