(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C13H18BrN3O — CID 63249413

IUPAC(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3O/c1-15-9-11-4-2-3-7-17(11)13(18)12-6-5-10(14)8-16-12/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyRDGJOBTUNNPKNE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.06
Rot. Bonds3

About (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63249413) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63249413
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3O/c1-15-9-11-4-2-3-7-17(11)13(18)12-6-5-10(14)8-16-12/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyRDGJOBTUNNPKNE-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
2-(4-bromophenyl)-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63249383

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 63249413) is (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is RDGJOBTUNNPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-15-9-11-4-2-3-7-17(11)13(18)12-6-5-10(14)8-16-12/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 312.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63249413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).