2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine

C13H22BrN3 — CID 103015231

IUPAC2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCn1nccc1CCN1CCCCC1CCBr
InChIInChI=1S/C13H22BrN3/c1-16-12(6-9-15-16)7-11-17-10-3-2-4-13(17)5-8-14/h6,9,13H,2-5,7-8,10-11H2,1H3
InChIKeyFVENCSKNPAXJBP-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine

2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (PubChem CID 103015231) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
PubChem CID103015231
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCn1nccc1CCN1CCCCC1CCBr
InChIInChI=1S/C13H22BrN3/c1-16-12(6-9-15-16)7-11-17-10-3-2-4-13(17)5-8-14/h6,9,13H,2-5,7-8,10-11H2,1H3
InChIKeyFVENCSKNPAXJBP-UHFFFAOYSA-N
XLogP2.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 103015366
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 103002715
(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 28954884
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171
(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 129492200
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80670897
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (CID 103015231) is 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is Cn1nccc1CCN1CCCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The InChIKey is FVENCSKNPAXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-16-12(6-9-15-16)7-11-17-10-3-2-4-13(17)5-8-14/h6,9,13H,2-5,7-8,10-11H2,1H3.
What are the key properties of 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine has a molecular weight of 300.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 103015231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).