4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine

C14H23BrN4 — CID 86816282

IUPAC4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine
SMILESCCN1CCN(C(C)CNc2cc(Br)ccn2)CC1
InChIInChI=1S/C14H23BrN4/c1-3-18-6-8-19(9-7-18)12(2)11-17-14-10-13(15)4-5-16-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,16,17)
InChIKeyJJRRKIIOEMVVMD-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.28
Rot. Bonds5

About 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine

4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine (PubChem CID 86816282) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine
PubChem CID86816282
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine
SMILESCCN1CCN(C(C)CNc2cc(Br)ccn2)CC1
InChIInChI=1S/C14H23BrN4/c1-3-18-6-8-19(9-7-18)12(2)11-17-14-10-13(15)4-5-16-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,16,17)
InChIKeyJJRRKIIOEMVVMD-UHFFFAOYSA-N
XLogP2.28
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine (CID 86816282) is 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine is CCN1CCN(C(C)CNc2cc(Br)ccn2)CC1.
What is the InChIKey of 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine?
The InChIKey is JJRRKIIOEMVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-3-18-6-8-19(9-7-18)12(2)11-17-14-10-13(15)4-5-16-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine?
4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 86816282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).