1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

C14H24BrCl2N3 — CID 171288986

IUPAC1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@H](c1ccc(Br)nc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22BrN3.2ClH/c1-14(2,3)13(18-8-6-16-7-9-18)11-4-5-12(15)17-10-11;;/h4-5,10,13,16H,6-9H2,1-3H3;2*1H/t13-;;/m0../s1
InChIKeyJUGXPFVDSOWCPM-GXKRWWSZSA-N
MW385.18 g/mol
LogP3.68
Rot. Bonds2

About 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171288986) has the molecular formula C14H24BrCl2N3 and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171288986
Molecular FormulaC14H24BrCl2N3
Molecular Weight385.18 g/mol
Exact Mass383.05
IUPAC Name1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@H](c1ccc(Br)nc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22BrN3.2ClH/c1-14(2,3)13(18-8-6-16-7-9-18)11-4-5-12(15)17-10-11;;/h4-5,10,13,16H,6-9H2,1-3H3;2*1H/t13-;;/m0../s1
InChIKeyJUGXPFVDSOWCPM-GXKRWWSZSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.68
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)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-[(1R)-1-(3,5-dibromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295363
1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310842
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1S)-1-(6-bromo-3-pyridinyl)-2-methylbutyl]piperazine
CID 171305224
1-[(1S)-1-(6-bromo-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302596
1-[(1S)-1-(6-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine
CID 171302598
1-[(1S)-1-(6-bromo-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308984
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171169028
1-[(1R)-1-(4-ethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171287107
2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171286577
1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171281692

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171288986) is 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@H](c1ccc(Br)nc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is JUGXPFVDSOWCPM-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H22BrN3.2ClH/c1-14(2,3)13(18-8-6-16-7-9-18)11-4-5-12(15)17-10-11;;/h4-5,10,13,16H,6-9H2,1-3H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 385.18 g/mol, XLogP of 3.68, 2 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)-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).