4-(4-benzylpiperidin-1-yl)-3-bromopyridine

C17H19BrN2 — CID 104778025

IUPAC4-(4-benzylpiperidin-1-yl)-3-bromopyridine
SMILESBrc1cnccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H19BrN2/c18-16-13-19-9-6-17(16)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2
InChIKeyZYZKZPJZTQUOTB-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.30
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)-3-bromopyridine

4-(4-benzylpiperidin-1-yl)-3-bromopyridine (PubChem CID 104778025) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-3-bromopyridine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-3-bromopyridine
PubChem CID104778025
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name4-(4-benzylpiperidin-1-yl)-3-bromopyridine
SMILESBrc1cnccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H19BrN2/c18-16-13-19-9-6-17(16)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2
InChIKeyZYZKZPJZTQUOTB-UHFFFAOYSA-N
XLogP4.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046
1-(3-bromo-4-pyridinyl)-4-(2-chloroethyl)piperazine
CID 104779395
6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
CID 79530696
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-bromopyridine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-bromopyridine (CID 104778025) is 4-(4-benzylpiperidin-1-yl)-3-bromopyridine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-3-bromopyridine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-3-bromopyridine is Brc1cnccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-3-bromopyridine?
The InChIKey is ZYZKZPJZTQUOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-16-13-19-9-6-17(16)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-3-bromopyridine?
4-(4-benzylpiperidin-1-yl)-3-bromopyridine has a molecular weight of 331.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-3-bromopyridine is sourced from PubChem (CID 104778025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).