2-(4-benzylpiperidin-1-yl)-6-bromoquinoline

C21H21BrN2 — CID 25139392

IUPAC2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
SMILESBrc1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C21H21BrN2/c22-19-7-8-20-18(15-19)6-9-21(23-20)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2
InChIKeyHYZVGSWMORZDBJ-UHFFFAOYSA-N
MW381.32 g/mol
LogP5.46
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline

2-(4-benzylpiperidin-1-yl)-6-bromoquinoline (PubChem CID 25139392) has the molecular formula C21H21BrN2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
PubChem CID25139392
Molecular FormulaC21H21BrN2
Molecular Weight381.32 g/mol
Exact Mass380.09
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
SMILESBrc1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C21H21BrN2/c22-19-7-8-20-18(15-19)6-9-21(23-20)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2
InChIKeyHYZVGSWMORZDBJ-UHFFFAOYSA-N
XLogP5.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
CID 25139391
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001
2-(4-phenylpiperidin-1-yl)quinolin-6-amine
CID 90005473
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
6-bromo-2-(2-phenylethyl)quinoline
CID 59459867

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline (CID 25139392) is 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline is Brc1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline?
The InChIKey is HYZVGSWMORZDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2/c22-19-7-8-20-18(15-19)6-9-21(23-20)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline?
2-(4-benzylpiperidin-1-yl)-6-bromoquinoline has a molecular weight of 381.32 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-6-bromoquinoline is sourced from PubChem (CID 25139392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).