1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine

C13H21BrN4 — CID 164854692

IUPAC1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
SMILESCN(C)CC1(N)CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H21BrN4/c1-17(2)10-13(15)5-7-18(8-6-13)12-4-3-11(14)9-16-12/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyCCOLBKSBMMNXJU-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.70
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine

1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine (PubChem CID 164854692) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
PubChem CID164854692
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
SMILESCN(C)CC1(N)CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H21BrN4/c1-17(2)10-13(15)5-7-18(8-6-13)12-4-3-11(14)9-16-12/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyCCOLBKSBMMNXJU-UHFFFAOYSA-N
XLogP1.70
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
CID 63218652
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 63339651
1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
CID 112823407

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine (CID 164854692) is 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine is CN(C)CC1(N)CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine?
The InChIKey is CCOLBKSBMMNXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-17(2)10-13(15)5-7-18(8-6-13)12-4-3-11(14)9-16-12/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine?
1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine is sourced from PubChem (CID 164854692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).