3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine

C12H19BrN4 — CID 79531632

IUPAC3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C12H19BrN4/c13-11-8-10(14)9-16-12(11)15-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16)
InChIKeyFTMBVJQVWCICAS-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.32
Rot. Bonds4

About 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine

3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine (PubChem CID 79531632) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
PubChem CID79531632
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C12H19BrN4/c13-11-8-10(14)9-16-12(11)15-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16)
InChIKeyFTMBVJQVWCICAS-UHFFFAOYSA-N
XLogP2.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine (CID 79531632) is 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine is Nc1cnc(NCCN2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
The InChIKey is FTMBVJQVWCICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c13-11-8-10(14)9-16-12(11)15-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16).
What are the key properties of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine has a molecular weight of 299.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).