1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane

C23H34Br2N4O2Si — CID 67871907

IUPAC1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1CCN(c2ccc(Br)cn2)CC1.OC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H21BrN2OSi.C10H13BrN2O/c1-18(2,3)17-12-6-8-16(9-7-12)13-5-4-11(14)10-15-13;11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h4-5,10,12H,6-9H2,1-3H3;1-2,7,9,14H,3-6H2
InChIKeyCYRJRXNMIKWTDD-UHFFFAOYSA-N
MW586.45 g/mol
LogP5.47
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane

1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane (PubChem CID 67871907) has the molecular formula C23H34Br2N4O2Si and a molecular weight of 586.45 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane
PubChem CID67871907
Molecular FormulaC23H34Br2N4O2Si
Molecular Weight586.45 g/mol
Exact Mass584.08
IUPAC Name1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1CCN(c2ccc(Br)cn2)CC1.OC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H21BrN2OSi.C10H13BrN2O/c1-18(2,3)17-12-6-8-16(9-7-12)13-5-4-11(14)10-15-13;11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h4-5,10,12H,6-9H2,1-3H3;1-2,7,9,14H,3-6H2
InChIKeyCYRJRXNMIKWTDD-UHFFFAOYSA-N
XLogP5.47
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 82692276
1-(5-bromo-2-pyridinyl)piperidin-4-ol;5-bromo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine;1-fluoro-2-(trifluoromethyl)benzene
CID 158018417
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700909
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
5-bromo-2-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]pyridine
CID 67148219
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane?
The IUPAC name of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane (CID 67871907) is 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane is C[Si](C)(C)OC1CCN(c2ccc(Br)cn2)CC1.OC1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane?
The InChIKey is CYRJRXNMIKWTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OSi.C10H13BrN2O/c1-18(2,3)17-12-6-8-16(9-7-12)13-5-4-11(14)10-15-13;11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h4-5,10,12H,6-9H2,1-3H3;1-2,7,9,14H,3-6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane?
1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane has a molecular weight of 586.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 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;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 67871907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).