[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine

C13H20BrN3 — CID 104798108

IUPAC[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1cncc(Br)c1
InChIInChI=1S/C13H20BrN3/c1-10-2-3-11(5-15)8-17(10)9-12-4-13(14)7-16-6-12/h4,6-7,10-11H,2-3,5,8-9,15H2,1H3
InChIKeyKLWLQXBANVIAJU-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.40
Rot. Bonds3

About [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine

[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine (PubChem CID 104798108) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
PubChem CID104798108
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1cncc(Br)c1
InChIInChI=1S/C13H20BrN3/c1-10-2-3-11(5-15)8-17(10)9-12-4-13(14)7-16-6-12/h4,6-7,10-11H,2-3,5,8-9,15H2,1H3
InChIKeyKLWLQXBANVIAJU-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine (CID 104798108) is [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine is CC1CCC(CN)CN1Cc1cncc(Br)c1.
What is the InChIKey of [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The InChIKey is KLWLQXBANVIAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-2-3-11(5-15)8-17(10)9-12-4-13(14)7-16-6-12/h4,6-7,10-11H,2-3,5,8-9,15H2,1H3.
What are the key properties of [1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine?
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine has a molecular weight of 298.23 g/mol, XLogP of 2.40, 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]-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 104798108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).