3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine

C12H16Br2N2 — CID 104779467

IUPAC3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine
SMILESBrCCC1CCCCN1c1ccncc1Br
InChIInChI=1S/C12H16Br2N2/c13-6-4-10-3-1-2-8-16(10)12-5-7-15-9-11(12)14/h5,7,9-10H,1-4,6,8H2
InChIKeyYZNIOBZJZZBYED-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine

3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine (PubChem CID 104779467) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine
PubChem CID104779467
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine
SMILESBrCCC1CCCCN1c1ccncc1Br
InChIInChI=1S/C12H16Br2N2/c13-6-4-10-3-1-2-8-16(10)12-5-7-15-9-11(12)14/h5,7,9-10H,1-4,6,8H2
InChIKeyYZNIOBZJZZBYED-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.99
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

1-[1-(3-bromo-4-pyridinyl)azepan-2-yl]propan-2-amine
CID 112748094
1-(3-bromo-4-pyridinyl)piperidin-2-ol
CID 130114596
3-chloro-4-[2-(2-chloroethyl)piperidin-1-yl]pyridine
CID 79840944
2-(bromomethyl)-1-(3-methyl-4-pyridinyl)azepane
CID 116638705
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 80671260
[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
CID 116637094
3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 104777419
[4-(2-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81239529
3-bromo-4-(2,4-dimethylpiperidin-1-yl)pyridine
CID 104778409
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine (CID 104779467) is 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine is BrCCC1CCCCN1c1ccncc1Br.
What is the InChIKey of 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
The InChIKey is YZNIOBZJZZBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c13-6-4-10-3-1-2-8-16(10)12-5-7-15-9-11(12)14/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine has a molecular weight of 348.08 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 104779467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).