1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine

C13H20BrN3 — CID 112695195

IUPAC1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-11-3-5-17(6-4-11)13-7-12(14)8-15-9-13/h7-9,11H,3-6,10H2,1-2H3
InChIKeyRDPWKPRKAIAYKR-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 112695195) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID112695195
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-11-3-5-17(6-4-11)13-7-12(14)8-15-9-13/h7-9,11H,3-6,10H2,1-2H3
InChIKeyRDPWKPRKAIAYKR-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

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Related Compounds

1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 103517907
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986029
1-[4-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966964
1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 63962807
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889438

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 112695195) is 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is RDPWKPRKAIAYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-16(2)10-11-3-5-17(6-4-11)13-7-12(14)8-15-9-13/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(5-bromo-3-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-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 112695195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).