1-bromo-4-piperidin-1-ylphthalazine

C13H14BrN3 — CID 175274183

IUPAC1-bromo-4-piperidin-1-ylphthalazine
SMILESBrc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C13H14BrN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyASZSZAZASMHCBO-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.38
Rot. Bonds1

About 1-bromo-4-piperidin-1-ylphthalazine

1-bromo-4-piperidin-1-ylphthalazine (PubChem CID 175274183) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-bromo-4-piperidin-1-ylphthalazine.

Molecular Properties

Compound Name1-bromo-4-piperidin-1-ylphthalazine
PubChem CID175274183
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-bromo-4-piperidin-1-ylphthalazine
SMILESBrc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C13H14BrN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyASZSZAZASMHCBO-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-pyrrolidin-1-ylisoquinoline
CID 172992750
1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine
CID 20875743
6-(azepan-1-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 22432879
[1-(azepan-1-yl)isoquinolin-4-yl]methanol
CID 106767904
3-(azocan-1-yl)-1H-indazole
CID 178043244
4-(azepan-1-yl)quinazoline
CID 5207391
1-(azocan-1-yl)-4-(chloromethyl)isoquinoline
CID 106768958
2-bromo-3-piperidin-1-ylpyrazine
CID 130118607
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 42690593
1-(azepan-1-yl)-N,3-dimethylisoquinolin-4-amine
CID 82572469
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-piperidin-1-ylphthalazine?
The IUPAC name of 1-bromo-4-piperidin-1-ylphthalazine (CID 175274183) is 1-bromo-4-piperidin-1-ylphthalazine.
What is the SMILES notation for 1-bromo-4-piperidin-1-ylphthalazine?
The canonical SMILES for 1-bromo-4-piperidin-1-ylphthalazine is Brc1nnc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-bromo-4-piperidin-1-ylphthalazine?
The InChIKey is ASZSZAZASMHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-bromo-4-piperidin-1-ylphthalazine?
1-bromo-4-piperidin-1-ylphthalazine has a molecular weight of 292.18 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-piperidin-1-ylphthalazine is sourced from PubChem (CID 175274183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).