1-(5-bromopyrimidin-2-yl)piperidin-4-ol

C9H12BrN3O — CID 4641125

IUPAC1-(5-bromopyrimidin-2-yl)piperidin-4-ol
SMILESOC1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C9H12BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
InChIKeyKHDDJQBUJMYKAY-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.20
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)piperidin-4-ol

1-(5-bromopyrimidin-2-yl)piperidin-4-ol (PubChem CID 4641125) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)piperidin-4-ol
PubChem CID4641125
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name1-(5-bromopyrimidin-2-yl)piperidin-4-ol
SMILESOC1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C9H12BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
InChIKeyKHDDJQBUJMYKAY-UHFFFAOYSA-N
XLogP1.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)piperidin-4-ol (CID 4641125) is 1-(5-bromopyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)piperidin-4-ol is OC1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)piperidin-4-ol?
The InChIKey is KHDDJQBUJMYKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)piperidin-4-ol?
1-(5-bromopyrimidin-2-yl)piperidin-4-ol has a molecular weight of 258.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)piperidin-4-ol is sourced from PubChem (CID 4641125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).