1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone

C9H17FN2O — CID 45119588

IUPAC1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)F)CC1
InChIInChI=1S/C9H17FN2O/c1-8(10)7-11-3-5-12(6-4-11)9(2)13/h8H,3-7H2,1-2H3
InChIKeyHUFVIPHYUUUCPF-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.51
Rot. Bonds2

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

1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone (PubChem CID 45119588) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone
PubChem CID45119588
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)F)CC1
InChIInChI=1S/C9H17FN2O/c1-8(10)7-11-3-5-12(6-4-11)9(2)13/h8H,3-7H2,1-2H3
InChIKeyHUFVIPHYUUUCPF-UHFFFAOYSA-N
XLogP0.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone (CID 45119588) is 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(C)F)CC1.
What is the InChIKey of 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone?
The InChIKey is HUFVIPHYUUUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-8(10)7-11-3-5-12(6-4-11)9(2)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone?
1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone has a molecular weight of 188.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 45119588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).