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

C12H18BrN3 — CID 115741342

IUPAC[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c13-11-5-10(7-15-8-11)9-16-4-2-1-3-12(16)6-14/h5,7-8,12H,1-4,6,9,14H2
InChIKeyPPFSFQBYNNGSCA-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.16
Rot. Bonds3

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

[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine (PubChem CID 115741342) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
PubChem CID115741342
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c13-11-5-10(7-15-8-11)9-16-4-2-1-3-12(16)6-14/h5,7-8,12H,1-4,6,9,14H2
InChIKeyPPFSFQBYNNGSCA-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 104973692
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 104798186
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 115593313
[1-[(3-bromo-5-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103351293
ethyl 1-[(5-bromo-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 113222665
1-[(5-bromo-3-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 104797256
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine (CID 115741342) is [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1cncc(Br)c1.
What is the InChIKey of [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is PPFSFQBYNNGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-11-5-10(7-15-8-11)9-16-4-2-1-3-12(16)6-14/h5,7-8,12H,1-4,6,9,14H2.
What are the key properties of [1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.16, 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]piperidin-2-yl]methanamine is sourced from PubChem (CID 115741342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).