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

C12H20BrN3 — CID 103015263

IUPAC3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCn1nccc1CCN1CCCC(CBr)C1
InChIInChI=1S/C12H20BrN3/c1-15-12(4-6-14-15)5-8-16-7-2-3-11(9-13)10-16/h4,6,11H,2-3,5,7-10H2,1H3
InChIKeyUIZGFUNGSDJQMO-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.07
Rot. Bonds4

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

3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (PubChem CID 103015263) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
PubChem CID103015263
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCn1nccc1CCN1CCCC(CBr)C1
InChIInChI=1S/C12H20BrN3/c1-15-12(4-6-14-15)5-8-16-7-2-3-11(9-13)10-16/h4,6,11H,2-3,5,7-10H2,1H3
InChIKeyUIZGFUNGSDJQMO-UHFFFAOYSA-N
XLogP2.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.07
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

1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 103003270
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carbothioamide
CID 103002658
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006
3-(bromomethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80680575
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015382
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
3-(bromomethyl)-1-pentylpiperidine
CID 80679758

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The IUPAC name of 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (CID 103015263) is 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The canonical SMILES for 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is Cn1nccc1CCN1CCCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The InChIKey is UIZGFUNGSDJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-15-12(4-6-14-15)5-8-16-7-2-3-11(9-13)10-16/h4,6,11H,2-3,5,7-10H2,1H3.
What are the key properties of 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine has a molecular weight of 286.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 103015263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).