8-bromo-3-(piperidin-3-ylmethyl)quinoline

C15H17BrN2 — CID 84644812

IUPAC8-bromo-3-(piperidin-3-ylmethyl)quinoline
SMILESBrc1cccc2cc(CC3CCCNC3)cnc12
InChIInChI=1S/C15H17BrN2/c16-14-5-1-4-13-8-12(10-18-15(13)14)7-11-3-2-6-17-9-11/h1,4-5,8,10-11,17H,2-3,6-7,9H2
InChIKeyPWFFJMHSGYKLMX-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.54
Rot. Bonds2

About 8-bromo-3-(piperidin-3-ylmethyl)quinoline

8-bromo-3-(piperidin-3-ylmethyl)quinoline (PubChem CID 84644812) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 8-bromo-3-(piperidin-3-ylmethyl)quinoline.

Molecular Properties

Compound Name8-bromo-3-(piperidin-3-ylmethyl)quinoline
PubChem CID84644812
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name8-bromo-3-(piperidin-3-ylmethyl)quinoline
SMILESBrc1cccc2cc(CC3CCCNC3)cnc12
InChIInChI=1S/C15H17BrN2/c16-14-5-1-4-13-8-12(10-18-15(13)14)7-11-3-2-6-17-9-11/h1,4-5,8,10-11,17H,2-3,6-7,9H2
InChIKeyPWFFJMHSGYKLMX-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
CID 116784337
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
CID 84635397

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(piperidin-3-ylmethyl)quinoline?
The IUPAC name of 8-bromo-3-(piperidin-3-ylmethyl)quinoline (CID 84644812) is 8-bromo-3-(piperidin-3-ylmethyl)quinoline.
What is the SMILES notation for 8-bromo-3-(piperidin-3-ylmethyl)quinoline?
The canonical SMILES for 8-bromo-3-(piperidin-3-ylmethyl)quinoline is Brc1cccc2cc(CC3CCCNC3)cnc12.
What is the InChIKey of 8-bromo-3-(piperidin-3-ylmethyl)quinoline?
The InChIKey is PWFFJMHSGYKLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-14-5-1-4-13-8-12(10-18-15(13)14)7-11-3-2-6-17-9-11/h1,4-5,8,10-11,17H,2-3,6-7,9H2.
What are the key properties of 8-bromo-3-(piperidin-3-ylmethyl)quinoline?
8-bromo-3-(piperidin-3-ylmethyl)quinoline has a molecular weight of 305.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(piperidin-3-ylmethyl)quinoline is sourced from PubChem (CID 84644812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).