1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine

C13H20BrN3 — CID 63962807

IUPAC1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyPQGMGAORYOXRDI-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 63962807) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID63962807
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyPQGMGAORYOXRDI-UHFFFAOYSA-N
XLogP2.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.62
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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Related Compounds

2-bromo-6-(4-ethylpiperidin-1-yl)pyridine
CID 63963224
1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986345
1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 63962583
1-[1-(6-hydrazinyl-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80905621
1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642777
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine
CID 63961516
1-(6-bromo-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114679698
1-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80904477
2-fluoro-6-(4-propylpiperidin-1-yl)pyridine
CID 62205633
(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032757
2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
CID 170582340

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 63962807) is 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2cccc(Br)n2)CC1.
What is the InChIKey of 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is PQGMGAORYOXRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 63962807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).