1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride

C15H26BrCl2N3 — CID 171310842

IUPAC1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@H](c1ccc(Br)nc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24BrN3.2ClH/c1-12(2)3-5-14(19-9-7-17-8-10-19)13-4-6-15(16)18-11-13;;/h4,6,11-12,14,17H,3,5,7-10H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyZFQBKMJQZBVXOT-FMOMHUKBSA-N
MW399.20 g/mol
LogP4.07
Rot. Bonds5

About 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171310842) has the molecular formula C15H26BrCl2N3 and a molecular weight of 399.20 g/mol. Its IUPAC name is 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171310842
Molecular FormulaC15H26BrCl2N3
Molecular Weight399.20 g/mol
Exact Mass397.07
IUPAC Name1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@H](c1ccc(Br)nc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24BrN3.2ClH/c1-12(2)3-5-14(19-9-7-17-8-10-19)13-4-6-15(16)18-11-13;;/h4,6,11-12,14,17H,3,5,7-10H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyZFQBKMJQZBVXOT-FMOMHUKBSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 54.07
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-[(1S)-1-(6-bromo-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308984
1-[(1S)-1-(6-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine
CID 171302598
1-[(1S)-1-(6-bromo-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302596
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1S)-1-(6-bromo-3-pyridinyl)-2-methylbutyl]piperazine
CID 171305224
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171288986
2,6-dibromo-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309928
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1R)-1-(2-bromo-4-pyridinyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289092
2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310693

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride (CID 171310842) is 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride is CC(C)CC[C@H](c1ccc(Br)nc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is ZFQBKMJQZBVXOT-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H24BrN3.2ClH/c1-12(2)3-5-14(19-9-7-17-8-10-19)13-4-6-15(16)18-11-13;;/h4,6,11-12,14,17H,3,5,7-10H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 399.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171310842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).