3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine

C14H23BrN4 — CID 114868973

IUPAC3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCc1cc(N2CCN(CC(C)CN)CC2)ncc1Br
InChIInChI=1S/C14H23BrN4/c1-11(8-16)10-18-3-5-19(6-4-18)14-7-12(2)13(15)9-17-14/h7,9,11H,3-6,8,10,16H2,1-2H3
InChIKeyFVRBJTYSYFXGEY-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.87
Rot. Bonds4

About 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine

3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 114868973) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID114868973
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCc1cc(N2CCN(CC(C)CN)CC2)ncc1Br
InChIInChI=1S/C14H23BrN4/c1-11(8-16)10-18-3-5-19(6-4-18)14-7-12(2)13(15)9-17-14/h7,9,11H,3-6,8,10,16H2,1-2H3
InChIKeyFVRBJTYSYFXGEY-UHFFFAOYSA-N
XLogP1.87
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 114868973) is 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine is Cc1cc(N2CCN(CC(C)CN)CC2)ncc1Br.
What is the InChIKey of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is FVRBJTYSYFXGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-11(8-16)10-18-3-5-19(6-4-18)14-7-12(2)13(15)9-17-14/h7,9,11H,3-6,8,10,16H2,1-2H3.
What are the key properties of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114868973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).