4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine

C11H14BrClN2 — CID 80674261

IUPAC4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
SMILESClc1cnccc1N1CCCC(CBr)C1
InChIInChI=1S/C11H14BrClN2/c12-6-9-2-1-5-15(8-9)11-3-4-14-7-10(11)13/h3-4,7,9H,1-2,5-6,8H2
InChIKeyCUELGZKTPSEORB-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.35
Rot. Bonds2

About 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine

4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine (PubChem CID 80674261) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine.

Molecular Properties

Compound Name4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
PubChem CID80674261
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
SMILESClc1cnccc1N1CCCC(CBr)C1
InChIInChI=1S/C11H14BrClN2/c12-6-9-2-1-5-15(8-9)11-3-4-14-7-10(11)13/h3-4,7,9H,1-2,5-6,8H2
InChIKeyCUELGZKTPSEORB-UHFFFAOYSA-N
XLogP3.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.35
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

3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
3-chloro-4-(3-methylazetidin-1-yl)pyridine
CID 142532055
1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
CID 81460923
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 122147269
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519

Frequently Asked Questions

What is the IUPAC name of 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine?
The IUPAC name of 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine (CID 80674261) is 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine.
What is the SMILES notation for 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine?
The canonical SMILES for 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine is Clc1cnccc1N1CCCC(CBr)C1.
What is the InChIKey of 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine?
The InChIKey is CUELGZKTPSEORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-6-9-2-1-5-15(8-9)11-3-4-14-7-10(11)13/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine?
4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine has a molecular weight of 289.60 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine is sourced from PubChem (CID 80674261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).