1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol

C11H15BrClN3O — CID 106836946

IUPAC1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H15BrClN3O/c1-7(17)8-2-4-16(5-3-8)10-9(12)6-14-11(13)15-10/h6-8,17H,2-5H2,1H3
InChIKeySYOPRDFLYVUNQJ-UHFFFAOYSA-N
MW320.62 g/mol
LogP2.49
Rot. Bonds2

About 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol

1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol (PubChem CID 106836946) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol
PubChem CID106836946
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H15BrClN3O/c1-7(17)8-2-4-16(5-3-8)10-9(12)6-14-11(13)15-10/h6-8,17H,2-5H2,1H3
InChIKeySYOPRDFLYVUNQJ-UHFFFAOYSA-N
XLogP2.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79076088
5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536606
5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 79076229
1-(5-bromo-2-chloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79072527
tert-butyl N-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 123842349
1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112627790
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 79073656
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 79073002
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
CID 79075744
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
CID 106838520

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol (CID 106836946) is 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is SYOPRDFLYVUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-7(17)8-2-4-16(5-3-8)10-9(12)6-14-11(13)15-10/h6-8,17H,2-5H2,1H3.
What are the key properties of 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol?
1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 320.62 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106836946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).