3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine

C12H18BrN3 — CID 104777475

IUPAC3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
SMILESBrc1cnccc1NCCC1CCCNC1
InChIInChI=1S/C12H18BrN3/c13-11-9-15-6-4-12(11)16-7-3-10-2-1-5-14-8-10/h4,6,9-10,14H,1-3,5,7-8H2,(H,15,16)
InChIKeyWQXYZPMVKIYBEU-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.65
Rot. Bonds4

About 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine

3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine (PubChem CID 104777475) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
PubChem CID104777475
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
SMILESBrc1cnccc1NCCC1CCCNC1
InChIInChI=1S/C12H18BrN3/c13-11-9-15-6-4-12(11)16-7-3-10-2-1-5-14-8-10/h4,6,9-10,14H,1-3,5,7-8H2,(H,15,16)
InChIKeyWQXYZPMVKIYBEU-UHFFFAOYSA-N
XLogP2.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-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

3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
CID 104777079
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 113413746
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
5-bromo-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 65343623
2-bromo-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054197
4-bromo-2-(2-hydroxyethyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
CID 114445051
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine (CID 104777475) is 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine is Brc1cnccc1NCCC1CCCNC1.
What is the InChIKey of 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine?
The InChIKey is WQXYZPMVKIYBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-11-9-15-6-4-12(11)16-7-3-10-2-1-5-14-8-10/h4,6,9-10,14H,1-3,5,7-8H2,(H,15,16).
What are the key properties of 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine?
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine is sourced from PubChem (CID 104777475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).