4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine

C14H22BrN3 — CID 107083540

IUPAC4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
SMILESCCC1CN(c2ncc(CBr)cc2C)CCN1C
InChIInChI=1S/C14H22BrN3/c1-4-13-10-18(6-5-17(13)3)14-11(2)7-12(8-15)9-16-14/h7,9,13H,4-6,8,10H2,1-3H3
InChIKeyMKAHPRPDJRGRPV-UHFFFAOYSA-N
MW312.26 g/mol
LogP2.82
Rot. Bonds3

About 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine

4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine (PubChem CID 107083540) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
PubChem CID107083540
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
SMILESCCC1CN(c2ncc(CBr)cc2C)CCN1C
InChIInChI=1S/C14H22BrN3/c1-4-13-10-18(6-5-17(13)3)14-11(2)7-12(8-15)9-16-14/h7,9,13H,4-6,8,10H2,1-3H3
InChIKeyMKAHPRPDJRGRPV-UHFFFAOYSA-N
XLogP2.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 52.82
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

6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyridin-3-amine
CID 63609284
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
4-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-ethyl-1-methylpiperazine
CID 63634317
5-(bromomethyl)-3-methyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 107085109
(E)-3-[6-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638020
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
[5-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 63633970
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine
CID 79727492
5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55247393

Frequently Asked Questions

What is the IUPAC name of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine (CID 107083540) is 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine is CCC1CN(c2ncc(CBr)cc2C)CCN1C.
What is the InChIKey of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine?
The InChIKey is MKAHPRPDJRGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-4-13-10-18(6-5-17(13)3)14-11(2)7-12(8-15)9-16-14/h7,9,13H,4-6,8,10H2,1-3H3.
What are the key properties of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine?
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine has a molecular weight of 312.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 107083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).