1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride

C14H24BrCl2N3 — CID 171308612

IUPAC1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1cncc(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22BrN3.2ClH/c1-2-3-4-14(18-7-5-16-6-8-18)12-9-13(15)11-17-10-12;;/h9-11,14,16H,2-8H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyHAULHRHRWFVXNW-UTLKBRERSA-N
MW385.18 g/mol
LogP3.82
Rot. Bonds5

About 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308612) has the molecular formula C14H24BrCl2N3 and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride
PubChem CID171308612
Molecular FormulaC14H24BrCl2N3
Molecular Weight385.18 g/mol
Exact Mass383.05
IUPAC Name1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1cncc(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22BrN3.2ClH/c1-2-3-4-14(18-7-5-16-6-8-18)12-9-13(15)11-17-10-12;;/h9-11,14,16H,2-8H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyHAULHRHRWFVXNW-UTLKBRERSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-bromo-3-pyridinyl)hexyl]piperazine
CID 171307316
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
1-[(1S)-1-(3-bromo-5-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309031
1-[(1S)-1-(5-bromo-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302338
1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863
1-[(1S)-1-(6-bromo-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308984
1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307810
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171170520

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride (CID 171308612) is 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1cncc(Br)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride?
The InChIKey is HAULHRHRWFVXNW-UTLKBRERSA-N. The full InChI is InChI=1S/C14H22BrN3.2ClH/c1-2-3-4-14(18-7-5-16-6-8-18)12-9-13(15)11-17-10-12;;/h9-11,14,16H,2-8H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride has a molecular weight of 385.18 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).