1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride

C11H18Cl2FN3 — CID 171276366

IUPAC1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1cccnc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C11H16FN3.2ClH/c1-9(15-7-5-13-6-8-15)10-3-2-4-14-11(10)12;;/h2-4,9,13H,5-8H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyUMKZAFQWPDIYIP-WWPIYYJJSA-N
MW282.19 g/mol
LogP2.03
Rot. Bonds2

About 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride

1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride (PubChem CID 171276366) has the molecular formula C11H18Cl2FN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
PubChem CID171276366
Molecular FormulaC11H18Cl2FN3
Molecular Weight282.19 g/mol
Exact Mass281.09
IUPAC Name1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1cccnc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C11H16FN3.2ClH/c1-9(15-7-5-13-6-8-15)10-3-2-4-14-11(10)12;;/h2-4,9,13H,5-8H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyUMKZAFQWPDIYIP-WWPIYYJJSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304461
1-[(1R)-1-(2-bromo-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171289099
1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890125
1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308988
1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butyl]piperazine
CID 171303566
1-[(1S)-1-(2-fluoro-3-pyridinyl)but-3-enyl]piperazine
CID 171276374
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170943
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171166576
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(S)-(2-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171276388

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride (CID 171276366) is 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride is C[C@@H](c1cccnc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride?
The InChIKey is UMKZAFQWPDIYIP-WWPIYYJJSA-N. The full InChI is InChI=1S/C11H16FN3.2ClH/c1-9(15-7-5-13-6-8-15)10-3-2-4-14-11(10)12;;/h2-4,9,13H,5-8H2,1H3;2*1H/t9-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride has a molecular weight of 282.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).