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

C12H16BrN3O — CID 62957995

IUPAC[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H16BrN3O/c13-9-4-5-11(15-8-9)12(17)16-6-2-1-3-10(16)7-14/h4-5,8,10H,1-3,6-7,14H2
InChIKeyROYXCYYJVLSJBV-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.80
Rot. Bonds2

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

[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone (PubChem CID 62957995) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
PubChem CID62957995
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H16BrN3O/c13-9-4-5-11(15-8-9)12(17)16-6-2-1-3-10(16)7-14/h4-5,8,10H,1-3,6-7,14H2
InChIKeyROYXCYYJVLSJBV-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-bromo-2-pyridinyl)methanone
CID 65320580
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807500
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone (CID 62957995) is [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone is NCC1CCCCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
The InChIKey is ROYXCYYJVLSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-4-5-11(15-8-9)12(17)16-6-2-1-3-10(16)7-14/h4-5,8,10H,1-3,6-7,14H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone has a molecular weight of 298.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 62957995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).