6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine

C15H22BrN3 — CID 168665697

IUPAC6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine
SMILESBrc1ccc(N2CCCCC2)c(CN2CCCC2)n1
InChIInChI=1S/C15H22BrN3/c16-15-7-6-14(19-10-2-1-3-11-19)13(17-15)12-18-8-4-5-9-18/h6-7H,1-5,8-12H2
InChIKeyMHVNHYFVYAAFIW-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.43
Rot. Bonds3

About 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine

6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 168665697) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID168665697
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine
SMILESBrc1ccc(N2CCCCC2)c(CN2CCCC2)n1
InChIInChI=1S/C15H22BrN3/c16-15-7-6-14(19-10-2-1-3-11-19)13(17-15)12-18-8-4-5-9-18/h6-7H,1-5,8-12H2
InChIKeyMHVNHYFVYAAFIW-UHFFFAOYSA-N
XLogP3.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine
CID 168665704
[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
CID 170995627
6-bromo-3-fluoro-2-piperidin-1-ylpyridine
CID 817395
N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
CID 168665692
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
CID 131212413
3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117247004
2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole
CID 117190898
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
2-(azepan-1-ylmethyl)-3-bromoimidazo[1,2-a]pyrimidine
CID 23965064
6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 56793487
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
4-bromo-2-(piperidin-1-ylmethyl)pyridine
CID 91754381

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine (CID 168665697) is 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine is Brc1ccc(N2CCCCC2)c(CN2CCCC2)n1.
What is the InChIKey of 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is MHVNHYFVYAAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-15-7-6-14(19-10-2-1-3-11-19)13(17-15)12-18-8-4-5-9-18/h6-7H,1-5,8-12H2.
What are the key properties of 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 324.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 168665697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).