3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine

C13H20BrN3 — CID 61375423

IUPAC3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
SMILESCC1CCN(CCNc2ncccc2Br)CC1
InChIInChI=1S/C13H20BrN3/c1-11-4-8-17(9-5-11)10-7-16-13-12(14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3,(H,15,16)
InChIKeyZDFBEBNXDQKZDL-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.99
Rot. Bonds4

About 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine

3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine (PubChem CID 61375423) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
PubChem CID61375423
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
SMILESCC1CCN(CCNc2ncccc2Br)CC1
InChIInChI=1S/C13H20BrN3/c1-11-4-8-17(9-5-11)10-7-16-13-12(14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3,(H,15,16)
InChIKeyZDFBEBNXDQKZDL-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine (CID 61375423) is 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine is CC1CCN(CCNc2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine?
The InChIKey is ZDFBEBNXDQKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-11-4-8-17(9-5-11)10-7-16-13-12(14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine?
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 61375423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).