5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine

C12H18BrN3O — CID 79532466

IUPAC5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
SMILESCCOC1CCCN(c2ncc(N)cc2Br)C1
InChIInChI=1S/C12H18BrN3O/c1-2-17-10-4-3-5-16(8-10)12-11(13)6-9(14)7-15-12/h6-7,10H,2-5,8,14H2,1H3
InChIKeyITXCTFWLZSIHRU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.43
Rot. Bonds3

About 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine

5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine (PubChem CID 79532466) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
PubChem CID79532466
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
SMILESCCOC1CCCN(c2ncc(N)cc2Br)C1
InChIInChI=1S/C12H18BrN3O/c1-2-17-10-4-3-5-16(8-10)12-11(13)6-9(14)7-15-12/h6-7,10H,2-5,8,14H2,1H3
InChIKeyITXCTFWLZSIHRU-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromopyridin-3-amine
CID 79535543
5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 79535102
[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 62673049
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
CID 115558883
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
ethyl 4-(5-amino-3-bromo-2-pyridinyl)piperazine-1-carboxylate
CID 107876726
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80806123
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
2-[2-(3-ethoxypiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114057439

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine (CID 79532466) is 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine is CCOC1CCCN(c2ncc(N)cc2Br)C1.
What is the InChIKey of 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine?
The InChIKey is ITXCTFWLZSIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-2-17-10-4-3-5-16(8-10)12-11(13)6-9(14)7-15-12/h6-7,10H,2-5,8,14H2,1H3.
What are the key properties of 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine?
5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine has a molecular weight of 300.20 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine is sourced from PubChem (CID 79532466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).