[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol

C11H16BrN3O2 — CID 103726655

IUPAC[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
SMILESCOc1nc(N2CCC(CO)CC2)ncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-17-10-9(12)6-13-11(14-10)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3
InChIKeyJRSXGTURWQSWCK-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.46
Rot. Bonds3

About [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol

[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol (PubChem CID 103726655) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
PubChem CID103726655
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
SMILESCOc1nc(N2CCC(CO)CC2)ncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-17-10-9(12)6-13-11(14-10)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3
InChIKeyJRSXGTURWQSWCK-UHFFFAOYSA-N
XLogP1.46
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 106998160
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 172881124
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431724
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
2-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 113253598
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 106998228

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol (CID 103726655) is [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol is COc1nc(N2CCC(CO)CC2)ncc1Br.
What is the InChIKey of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol?
The InChIKey is JRSXGTURWQSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-17-10-9(12)6-13-11(14-10)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3.
What are the key properties of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol?
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol has a molecular weight of 302.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 103726655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).