1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine

Name: 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₀BrN₃ — CID 104812297

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine

SMILESCCC1(C)CN(Cc2cncc(Br)c2)CCN1

InChIInChI=1S/C13H20BrN3/c1-3-13(2)10-17(5-4-16-13)9-11-6-12(14)8-15-7-11/h6-8,16H,3-5,9-10H2,1-2H3

InChIKeyYLOGDZCTLAJPER-UHFFFAOYSA-N

MW298.23 g/mol

LogP2.42

Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine

1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine (PubChem CID 104812297) has the molecular formula C₁₃H₂₀BrN₃ and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name	1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
PubChem CID	104812297
Molecular Formula	C₁₃H₂₀BrN₃
Molecular Weight	298.23 g/mol
Exact Mass	297.08
IUPAC Name	1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
SMILES	CCC1(C)CN(Cc2cncc(Br)c2)CCN1
InChI	InChI=1S/C13H20BrN3/c1-3-13(2)10-17(5-4-16-13)9-11-6-12(14)8-15-7-11/h6-8,16H,3-5,9-10H2,1-2H3
InChIKey	YLOGDZCTLAJPER-UHFFFAOYSA-N
XLogP	2.42
TPSA	28.16 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.23
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?

The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine (CID 104812297) is 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine.

What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?

The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine is CCC1(C)CN(Cc2cncc(Br)c2)CCN1.

What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?

The InChIKey is YLOGDZCTLAJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-13(2)10-17(5-4-16-13)9-11-6-12(14)8-15-7-11/h6-8,16H,3-5,9-10H2,1-2H3.

What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?

1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine has a molecular weight of 298.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 104812297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 104812297 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.