1-(4-fluoro-3-methyloxolan-3-yl)piperazine

C9H17FN2O — CID 175957686

IUPAC1-(4-fluoro-3-methyloxolan-3-yl)piperazine
SMILESCC1(N2CCNCC2)COCC1F
InChIInChI=1S/C9H17FN2O/c1-9(7-13-6-8(9)10)12-4-2-11-3-5-12/h8,11H,2-7H2,1H3
InChIKeyBKSDFIBXUACKIB-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.02
Rot. Bonds1

About 1-(4-fluoro-3-methyloxolan-3-yl)piperazine

1-(4-fluoro-3-methyloxolan-3-yl)piperazine (PubChem CID 175957686) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(4-fluoro-3-methyloxolan-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methyloxolan-3-yl)piperazine
PubChem CID175957686
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(4-fluoro-3-methyloxolan-3-yl)piperazine
SMILESCC1(N2CCNCC2)COCC1F
InChIInChI=1S/C9H17FN2O/c1-9(7-13-6-8(9)10)12-4-2-11-3-5-12/h8,11H,2-7H2,1H3
InChIKeyBKSDFIBXUACKIB-UHFFFAOYSA-N
XLogP0.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methyloxolan-3-yl)piperazine?
The IUPAC name of 1-(4-fluoro-3-methyloxolan-3-yl)piperazine (CID 175957686) is 1-(4-fluoro-3-methyloxolan-3-yl)piperazine.
What is the SMILES notation for 1-(4-fluoro-3-methyloxolan-3-yl)piperazine?
The canonical SMILES for 1-(4-fluoro-3-methyloxolan-3-yl)piperazine is CC1(N2CCNCC2)COCC1F.
What is the InChIKey of 1-(4-fluoro-3-methyloxolan-3-yl)piperazine?
The InChIKey is BKSDFIBXUACKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(7-13-6-8(9)10)12-4-2-11-3-5-12/h8,11H,2-7H2,1H3.
What are the key properties of 1-(4-fluoro-3-methyloxolan-3-yl)piperazine?
1-(4-fluoro-3-methyloxolan-3-yl)piperazine has a molecular weight of 188.25 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methyloxolan-3-yl)piperazine is sourced from PubChem (CID 175957686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).