1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol

C20H27Br3N4O2 — CID 158714739

IUPAC1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol
SMILESBrc1ccc(Br)nc1.OC1CCN(c2ccc(Br)cn2)CC1.OC1CCNCC1
InChIInChI=1S/C10H13BrN2O.C5H3Br2N.C5H11NO/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-4-1-2-5(7)8-3-4;7-5-1-3-6-4-2-5/h1-2,7,9,14H,3-6H2;1-3H;5-7H,1-4H2
InChIKeyIJECFYFJAFELOA-UHFFFAOYSA-N
MW595.17 g/mol
LogP4.14
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol

1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol (PubChem CID 158714739) has the molecular formula C20H27Br3N4O2 and a molecular weight of 595.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol
PubChem CID158714739
Molecular FormulaC20H27Br3N4O2
Molecular Weight595.17 g/mol
Exact Mass591.97
IUPAC Name1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol
SMILESBrc1ccc(Br)nc1.OC1CCN(c2ccc(Br)cn2)CC1.OC1CCNCC1
InChIInChI=1S/C10H13BrN2O.C5H3Br2N.C5H11NO/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-4-1-2-5(7)8-3-4;7-5-1-3-6-4-2-5/h1-2,7,9,14H,3-6H2;1-3H;5-7H,1-4H2
InChIKeyIJECFYFJAFELOA-UHFFFAOYSA-N
XLogP4.14
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.17
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol with MolForge

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Related Compounds

5-bromo-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71871023
N-(5-bromopyridin-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 36136087
(2S)-4-[(5-bromo-2-pyridinyl)-methylamino]butan-2-ol
CID 96456639
1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine
CID 141306046
N-(5-bromopyridin-2-yl)-2-[4-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 1040356
N,N'-bis(5-bromo-2-pyridinyl)methanimidamide
CID 4711711
1-(5-Bromo-2-pyridinyl)-4-[3-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propyl]piperazine
CID 20634928
1-(5-Bromopyridin-2-yl)piperidin-4-ol
CID 21897837
2-[1-(5-Bromo-2-pyridinyl)piperazin-2-yl]ethanol
CID 23438660
3-[(5-Bromo-2-pyridinyl)amino]-1-propanol
CID 29053203
1-[(5-Bromo-2-pyridinyl)amino]propan-2-ol
CID 43500259
1-(4-Bromo-2-pyridinyl)-4-piperidinol
CID 45787989

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol (CID 158714739) is 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol is Brc1ccc(Br)nc1.OC1CCN(c2ccc(Br)cn2)CC1.OC1CCNCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol?
The InChIKey is IJECFYFJAFELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O.C5H3Br2N.C5H11NO/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-4-1-2-5(7)8-3-4;7-5-1-3-6-4-2-5/h1-2,7,9,14H,3-6H2;1-3H;5-7H,1-4H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol?
1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol has a molecular weight of 595.17 g/mol, XLogP of 4.14, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)piperidin-4-ol;2,5-dibromopyridine;piperidin-4-ol is sourced from PubChem (CID 158714739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).