3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine

C11H17FN4 — CID 171281215

IUPAC3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
SMILESNc1ncccc1[C@H](CF)N1CCNCC1
InChIInChI=1S/C11H17FN4/c12-8-10(16-6-4-14-5-7-16)9-2-1-3-15-11(9)13/h1-3,10,14H,4-8H2,(H2,13,15)/t10-/m0/s1
InChIKeyBIPKUJSCFOWXKK-JTQLQIEISA-N
MW224.28 g/mol
LogP0.58
Rot. Bonds3

About 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine

3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine (PubChem CID 171281215) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
PubChem CID171281215
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
SMILESNc1ncccc1[C@H](CF)N1CCNCC1
InChIInChI=1S/C11H17FN4/c12-8-10(16-6-4-14-5-7-16)9-2-1-3-15-11(9)13/h1-3,10,14H,4-8H2,(H2,13,15)/t10-/m0/s1
InChIKeyBIPKUJSCFOWXKK-JTQLQIEISA-N
XLogP0.58
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307032
3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
CID 171293862
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
CID 171293849
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-[(1S)-1-(2-fluoro-3-pyridinyl)but-3-enyl]piperazine
CID 171276374
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butyl]piperazine
CID 171303566
1-[(1S)-1-(2-chloro-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302356
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine?
The IUPAC name of 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine (CID 171281215) is 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine?
The canonical SMILES for 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine is Nc1ncccc1[C@H](CF)N1CCNCC1.
What is the InChIKey of 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine?
The InChIKey is BIPKUJSCFOWXKK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17FN4/c12-8-10(16-6-4-14-5-7-16)9-2-1-3-15-11(9)13/h1-3,10,14H,4-8H2,(H2,13,15)/t10-/m0/s1.
What are the key properties of 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine?
3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine is sourced from PubChem (CID 171281215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).