N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine

C15H24BrN3O — CID 104798186

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1Cc1cncc(Br)c1
InChIInChI=1S/C15H24BrN3O/c1-20-7-5-17-11-15-4-2-3-6-19(15)12-13-8-14(16)10-18-9-13/h8-10,15,17H,2-7,11-12H2,1H3
InChIKeyTYPYMPNUQGWACZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.43
Rot. Bonds7

About N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 104798186) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID104798186
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1Cc1cncc(Br)c1
InChIInChI=1S/C15H24BrN3O/c1-20-7-5-17-11-15-4-2-3-6-19(15)12-13-8-14(16)10-18-9-13/h8-10,15,17H,2-7,11-12H2,1H3
InChIKeyTYPYMPNUQGWACZ-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.43
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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Related Compounds

N-[[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62580803
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62582192
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 63853034
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
2-methoxy-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63853569
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103003262
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine (CID 104798186) is N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCCN1Cc1cncc(Br)c1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is TYPYMPNUQGWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-20-7-5-17-11-15-4-2-3-6-19(15)12-13-8-14(16)10-18-9-13/h8-10,15,17H,2-7,11-12H2,1H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 342.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 104798186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).