3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline

C17H21BrN2 — CID 107079898

IUPAC3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
SMILESCCC1CCCCN1c1nc2ccccc2cc1CBr
InChIInChI=1S/C17H21BrN2/c1-2-15-8-5-6-10-20(15)17-14(12-18)11-13-7-3-4-9-16(13)19-17/h3-4,7,9,11,15H,2,5-6,8,10,12H2,1H3
InChIKeyNDJMNCNMBQSNQE-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.90
Rot. Bonds3

About 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline

3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline (PubChem CID 107079898) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
PubChem CID107079898
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
SMILESCCC1CCCCN1c1nc2ccccc2cc1CBr
InChIInChI=1S/C17H21BrN2/c1-2-15-8-5-6-10-20(15)17-14(12-18)11-13-7-3-4-9-16(13)19-17/h3-4,7,9,11,15H,2,5-6,8,10,12H2,1H3
InChIKeyNDJMNCNMBQSNQE-UHFFFAOYSA-N
XLogP4.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)quinoline
CID 107084254
[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
CID 116634094
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one
CID 95563134
N-methyl-1-[2-(2-methylpiperidin-1-yl)quinolin-3-yl]methanamine
CID 43280386
4-[3-(bromomethyl)quinolin-2-yl]-2,3-dimethylthiomorpholine
CID 107085236
3-(bromomethyl)-2-(4,4-dimethylpiperidin-1-yl)quinoline
CID 107082936
3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 62469009
2-[2-(bromomethyl)azepan-1-yl]-3-methylquinoxaline
CID 116638816
3-(bromomethyl)-2-(2,3,5-trimethylpiperidin-1-yl)quinoline
CID 107085362
1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107083281

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline?
The IUPAC name of 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline (CID 107079898) is 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline.
What is the SMILES notation for 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline?
The canonical SMILES for 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline is CCC1CCCCN1c1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline?
The InChIKey is NDJMNCNMBQSNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-15-8-5-6-10-20(15)17-14(12-18)11-13-7-3-4-9-16(13)19-17/h3-4,7,9,11,15H,2,5-6,8,10,12H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline?
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline has a molecular weight of 333.27 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline is sourced from PubChem (CID 107079898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).