1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine

C12H18BrN3 — CID 63962583

IUPAC1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C12H18BrN3/c1-15(2)10-6-8-16(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,6-9H2,1-2H3
InChIKeyZLSJCPNNRWTYIW-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.37
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine

1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 63962583) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
PubChem CID63962583
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C12H18BrN3/c1-15(2)10-6-8-16(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,6-9H2,1-2H3
InChIKeyZLSJCPNNRWTYIW-UHFFFAOYSA-N
XLogP2.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine (CID 63962583) is 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cccc(Br)n2)CC1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is ZLSJCPNNRWTYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-15(2)10-6-8-16(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 63962583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).