1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride

C11H18Cl2FN3 — CID 171287156

IUPAC1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@H](c1ccccn1)N1CCNCC1
InChIInChI=1S/C11H16FN3.2ClH/c12-9-11(10-3-1-2-4-14-10)15-7-5-13-6-8-15;;/h1-4,11,13H,5-9H2;2*1H/t11-;;/m1../s1
InChIKeyPIEKQAXYEMZOAM-NVJADKKVSA-N
MW282.19 g/mol
LogP1.84
Rot. Bonds3

About 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride

1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride (PubChem CID 171287156) has the molecular formula C11H18Cl2FN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
PubChem CID171287156
Molecular FormulaC11H18Cl2FN3
Molecular Weight282.19 g/mol
Exact Mass281.09
IUPAC Name1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@H](c1ccccn1)N1CCNCC1
InChIInChI=1S/C11H16FN3.2ClH/c12-9-11(10-3-1-2-4-14-10)15-7-5-13-6-8-15;;/h1-4,11,13H,5-9H2;2*1H/t11-;;/m1../s1
InChIKeyPIEKQAXYEMZOAM-NVJADKKVSA-N
XLogP1.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 131380962
1-(1-pyridin-2-yl-2-pyrrolidin-1-ylethyl)piperazine
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1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
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1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
CID 131260384
3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
CID 171281215
1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
CID 83980176
1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171287163
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
2-piperazin-1-yl-1-pyridin-2-ylpropan-1-amine
CID 116946771
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
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CID 171292149

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride (CID 171287156) is 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@H](c1ccccn1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride?
The InChIKey is PIEKQAXYEMZOAM-NVJADKKVSA-N. The full InChI is InChI=1S/C11H16FN3.2ClH/c12-9-11(10-3-1-2-4-14-10)15-7-5-13-6-8-15;;/h1-4,11,13H,5-9H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride?
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride has a molecular weight of 282.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).