N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine

C15H24BrN3O — CID 114869842

IUPACN-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H24BrN3O/c1-12-9-15(18-11-14(12)16)19-6-3-13(4-7-19)10-17-5-8-20-2/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyGZWPJDUKYRJESE-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.60
Rot. Bonds6

About N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine

N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 114869842) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID114869842
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC NameN-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H24BrN3O/c1-12-9-15(18-11-14(12)16)19-6-3-13(4-7-19)10-17-5-8-20-2/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyGZWPJDUKYRJESE-UHFFFAOYSA-N
XLogP2.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine (CID 114869842) is N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine is COCCNCC1CCN(c2cc(C)c(Br)cn2)CC1.
What is the InChIKey of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is GZWPJDUKYRJESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-12-9-15(18-11-14(12)16)19-6-3-13(4-7-19)10-17-5-8-20-2/h9,11,13,17H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 342.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114869842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).