3-bromo-5-(piperidin-3-ylmethyl)pyridine

C11H15BrN2 — CID 104811408

IUPAC3-bromo-5-(piperidin-3-ylmethyl)pyridine
SMILESBrc1cncc(CC2CCCNC2)c1
InChIInChI=1S/C11H15BrN2/c12-11-5-10(7-14-8-11)4-9-2-1-3-13-6-9/h5,7-9,13H,1-4,6H2
InChIKeyDZTPJNNKCGOFLH-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.39
Rot. Bonds2

About 3-bromo-5-(piperidin-3-ylmethyl)pyridine

3-bromo-5-(piperidin-3-ylmethyl)pyridine (PubChem CID 104811408) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-bromo-5-(piperidin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(piperidin-3-ylmethyl)pyridine
PubChem CID104811408
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-bromo-5-(piperidin-3-ylmethyl)pyridine
SMILESBrc1cncc(CC2CCCNC2)c1
InChIInChI=1S/C11H15BrN2/c12-11-5-10(7-14-8-11)4-9-2-1-3-13-6-9/h5,7-9,13H,1-4,6H2
InChIKeyDZTPJNNKCGOFLH-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
8-bromo-3-(piperidin-3-ylmethyl)quinoline
CID 84644812
6-bromo-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 79533850
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117496154
1-[4-[(5-bromo-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 66509839
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
7-(piperidin-3-ylmethyl)-4-(trifluoromethyl)isoquinoline
CID 117474743
5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
CID 84635397
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(piperidin-3-ylmethyl)pyridine?
The IUPAC name of 3-bromo-5-(piperidin-3-ylmethyl)pyridine (CID 104811408) is 3-bromo-5-(piperidin-3-ylmethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(piperidin-3-ylmethyl)pyridine?
The canonical SMILES for 3-bromo-5-(piperidin-3-ylmethyl)pyridine is Brc1cncc(CC2CCCNC2)c1.
What is the InChIKey of 3-bromo-5-(piperidin-3-ylmethyl)pyridine?
The InChIKey is DZTPJNNKCGOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-5-10(7-14-8-11)4-9-2-1-3-13-6-9/h5,7-9,13H,1-4,6H2.
What are the key properties of 3-bromo-5-(piperidin-3-ylmethyl)pyridine?
3-bromo-5-(piperidin-3-ylmethyl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(piperidin-3-ylmethyl)pyridine is sourced from PubChem (CID 104811408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).