1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine

C11H16FN3 — CID 82507856

IUPAC1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine
SMILESFc1cncc(CCN2CCNCC2)c1
InChIInChI=1S/C11H16FN3/c12-11-7-10(8-14-9-11)1-4-15-5-2-13-3-6-15/h7-9,13H,1-6H2
InChIKeyKYIXDCVHDAXCHQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.67
Rot. Bonds3

About 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine

1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine (PubChem CID 82507856) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine
PubChem CID82507856
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine
SMILESFc1cncc(CCN2CCNCC2)c1
InChIInChI=1S/C11H16FN3/c12-11-7-10(8-14-9-11)1-4-15-5-2-13-3-6-15/h7-9,13H,1-6H2
InChIKeyKYIXDCVHDAXCHQ-UHFFFAOYSA-N
XLogP0.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
CID 84690273
5-(4-piperazin-1-ylbutyl)pyrimidine
CID 121009202
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
CID 117406196
2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
CID 115006371
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine (CID 82507856) is 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine is Fc1cncc(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine?
The InChIKey is KYIXDCVHDAXCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-11-7-10(8-14-9-11)1-4-15-5-2-13-3-6-15/h7-9,13H,1-6H2.
What are the key properties of 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine?
1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine has a molecular weight of 209.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 82507856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).