1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine

C15H18BrN3 — CID 106540899

IUPAC1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(c2nccc3c(Br)cccc23)C1
InChIInChI=1S/C15H18BrN3/c1-10-7-11(17)9-19(8-10)15-13-3-2-4-14(16)12(13)5-6-18-15/h2-6,10-11H,7-9,17H2,1H3
InChIKeyAJSCSRYFTWRYLS-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.17
Rot. Bonds1

About 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine

1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine (PubChem CID 106540899) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine
PubChem CID106540899
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(c2nccc3c(Br)cccc23)C1
InChIInChI=1S/C15H18BrN3/c1-10-7-11(17)9-19(8-10)15-13-3-2-4-14(16)12(13)5-6-18-15/h2-6,10-11H,7-9,17H2,1H3
InChIKeyAJSCSRYFTWRYLS-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(3-bromo-4-methylpiperidin-1-yl)isoquinoline
CID 106543296
1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine
CID 106543422
(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine
CID 129240529
1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114836358
1-(5-bromoisoquinolin-1-yl)pyrrolidine-3-carboxylic acid
CID 106536146
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158
2-[4-(5-bromoisoquinolin-1-yl)piperazin-1-yl]propan-1-amine
CID 106536597
N-[[1-(5-bromoisoquinolin-1-yl)piperidin-4-yl]methyl]ethanamine
CID 106540909
1-(5-bromoisoquinolin-1-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 106536499
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
CID 103889072
1-(5-bromo-3-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 103582851

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine (CID 106540899) is 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine is CC1CC(N)CN(c2nccc3c(Br)cccc23)C1.
What is the InChIKey of 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine?
The InChIKey is AJSCSRYFTWRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-7-11(17)9-19(8-10)15-13-3-2-4-14(16)12(13)5-6-18-15/h2-6,10-11H,7-9,17H2,1H3.
What are the key properties of 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine?
1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine has a molecular weight of 320.23 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 106540899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).