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

C12H18BrN3O — CID 102967838

IUPAC[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCOC1CCCN(c2ncc(Br)cc2CN)C1
InChIInChI=1S/C12H18BrN3O/c1-17-11-3-2-4-16(8-11)12-9(6-14)5-10(13)7-15-12/h5,7,11H,2-4,6,8,14H2,1H3
InChIKeyPZDURGVZWPRTNE-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.92
Rot. Bonds3

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

[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 102967838) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID102967838
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCOC1CCCN(c2ncc(Br)cc2CN)C1
InChIInChI=1S/C12H18BrN3O/c1-17-11-3-2-4-16(8-11)12-9(6-14)5-10(13)7-15-12/h5,7,11H,2-4,6,8,14H2,1H3
InChIKeyPZDURGVZWPRTNE-UHFFFAOYSA-N
XLogP1.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 106588323
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
CID 130625562
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62299979
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromo-3-pyridinyl]methanamine
CID 102728419
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]methanamine
CID 102955936
N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine (CID 102967838) is [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine is COC1CCCN(c2ncc(Br)cc2CN)C1.
What is the InChIKey of [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is PZDURGVZWPRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-17-11-3-2-4-16(8-11)12-9(6-14)5-10(13)7-15-12/h5,7,11H,2-4,6,8,14H2,1H3.
What are the key properties of [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine?
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 300.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102967838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).