[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine

C13H20BrN3 — CID 62285532

IUPAC[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCCC1CCN(c2ncc(Br)cc2CN)CC1
InChIInChI=1S/C13H20BrN3/c1-2-10-3-5-17(6-4-10)13-11(8-15)7-12(14)9-16-13/h7,9-10H,2-6,8,15H2,1H3
InChIKeyVWVZMJWYAYTIRN-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.93
Rot. Bonds3

About [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine

[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 62285532) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID62285532
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCCC1CCN(c2ncc(Br)cc2CN)CC1
InChIInChI=1S/C13H20BrN3/c1-2-10-3-5-17(6-4-10)13-11(8-15)7-12(14)9-16-13/h7,9-10H,2-6,8,15H2,1H3
InChIKeyVWVZMJWYAYTIRN-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 62285532) is [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine is CCC1CCN(c2ncc(Br)cc2CN)CC1.
What is the InChIKey of [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is VWVZMJWYAYTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-10-3-5-17(6-4-10)13-11(8-15)7-12(14)9-16-13/h7,9-10H,2-6,8,15H2,1H3.
What are the key properties of [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine?
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 298.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62285532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).