1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine

C14H22BrN3 — CID 171276286

IUPAC1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
SMILESCC(C)C[C@@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C14H22BrN3/c1-11(2)9-14(18-7-5-16-6-8-18)13-4-3-12(15)10-17-13/h3-4,10-11,14,16H,5-9H2,1-2H3/t14-/m0/s1
InChIKeyYMOVJMOTCDZXEJ-AWEZNQCLSA-N
MW312.25 g/mol
LogP2.84
Rot. Bonds4

About 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine

1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine (PubChem CID 171276286) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
PubChem CID171276286
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
SMILESCC(C)C[C@@H](c1ccc(Br)cn1)N1CCNCC1
InChIInChI=1S/C14H22BrN3/c1-11(2)9-14(18-7-5-16-6-8-18)13-4-3-12(15)10-17-13/h3-4,10-11,14,16H,5-9H2,1-2H3/t14-/m0/s1
InChIKeyYMOVJMOTCDZXEJ-AWEZNQCLSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
CID 131317744
1-[(1R)-1-(5-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171288884
1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
CID 131260384
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171307679
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304455
1-[(1R)-1-(5-bromo-2-pyridinyl)prop-2-enyl]piperazine
CID 131444524
5-bromo-2-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171290060
1-[(1R)-1-(2-bromo-4-pyridinyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289092
4-bromo-2-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171285515

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine (CID 171276286) is 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine is CC(C)C[C@@H](c1ccc(Br)cn1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine?
The InChIKey is YMOVJMOTCDZXEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11(2)9-14(18-7-5-16-6-8-18)13-4-3-12(15)10-17-13/h3-4,10-11,14,16H,5-9H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine?
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine has a molecular weight of 312.25 g/mol, XLogP of 2.84, 4 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-2-pyridinyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 171276286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).