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

C15H26Cl2FN3 — CID 171308988

IUPAC1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1cccnc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24FN3.2ClH/c1-2-3-4-7-14(19-11-9-17-10-12-19)13-6-5-8-18-15(13)16;;/h5-6,8,14,17H,2-4,7,9-12H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyZQSPGRZGEPOYKD-UTLKBRERSA-N
MW338.30 g/mol
LogP3.59
Rot. Bonds6

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

1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308988) has the molecular formula C15H26Cl2FN3 and a molecular weight of 338.30 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride
PubChem CID171308988
Molecular FormulaC15H26Cl2FN3
Molecular Weight338.30 g/mol
Exact Mass337.15
IUPAC Name1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1cccnc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24FN3.2ClH/c1-2-3-4-7-14(19-11-9-17-10-12-19)13-6-5-8-18-15(13)16;;/h5-6,8,14,17H,2-4,7,9-12H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyZQSPGRZGEPOYKD-UTLKBRERSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butyl]piperazine
CID 171303566
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1S)-1-(3-bromo-2-fluorophenyl)hexyl]piperazine;hydrochloride
CID 171163924
2-fluoro-6-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307333
1-[(1S)-1-(3-chloro-2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309330
1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366
1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304461
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
1-[(1S)-1-(2-fluoro-3-pyridinyl)but-3-enyl]piperazine
CID 171276374

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride (CID 171308988) is 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride is CCCCC[C@@H](c1cccnc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride?
The InChIKey is ZQSPGRZGEPOYKD-UTLKBRERSA-N. The full InChI is InChI=1S/C15H24FN3.2ClH/c1-2-3-4-7-14(19-11-9-17-10-12-19)13-6-5-8-18-15(13)16;;/h5-6,8,14,17H,2-4,7,9-12H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-fluoro-3-pyridinyl)hexyl]piperazine;dihydrochloride has a molecular weight of 338.30 g/mol, XLogP of 3.59, 6 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)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).