1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride

C14H24BrCl2N3 — CID 171304455

IUPAC1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(Br)cn1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22BrN3.2ClH/c1-3-11(2)14(18-8-6-16-7-9-18)13-5-4-12(15)10-17-13;;/h4-5,10-11,14,16H,3,6-9H2,1-2H3;2*1H/t11?,14-;;/m1../s1
InChIKeyLWMDLFOFYIFPTQ-POEUQKCMSA-N
MW385.18 g/mol
LogP3.68
Rot. Bonds4

About 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride (PubChem CID 171304455) has the molecular formula C14H24BrCl2N3 and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
PubChem CID171304455
Molecular FormulaC14H24BrCl2N3
Molecular Weight385.18 g/mol
Exact Mass383.05
IUPAC Name1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(Br)cn1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22BrN3.2ClH/c1-3-11(2)14(18-8-6-16-7-9-18)13-5-4-12(15)10-17-13;;/h4-5,10-11,14,16H,3,6-9H2,1-2H3;2*1H/t11?,14-;;/m1../s1
InChIKeyLWMDLFOFYIFPTQ-POEUQKCMSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454
1-[(1R)-1-(5-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171288884
1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
CID 131317744
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
CID 171276286
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
1-[(1S)-1-(6-bromo-3-pyridinyl)-2-methylbutyl]piperazine
CID 171305224
1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171307679
1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
CID 131260384
1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
CID 171305510
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1R)-1-(5-bromo-2-pyridinyl)prop-2-enyl]piperazine
CID 131444524
1-[(S)-(5-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276271

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride (CID 171304455) is 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride is CCC(C)[C@H](c1ccc(Br)cn1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
The InChIKey is LWMDLFOFYIFPTQ-POEUQKCMSA-N. The full InChI is InChI=1S/C14H22BrN3.2ClH/c1-3-11(2)14(18-8-6-16-7-9-18)13-5-4-12(15)10-17-13;;/h4-5,10-11,14,16H,3,6-9H2,1-2H3;2*1H/t11?,14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride has a molecular weight of 385.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).