5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine

C15H14Br2FN3O — CID 68820780

IUPAC5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine
SMILESFc1ccc(Br)c(OC2CCN(c3ncc(Br)cn3)CC2)c1
InChIInChI=1S/C15H14Br2FN3O/c16-10-8-19-15(20-9-10)21-5-3-12(4-6-21)22-14-7-11(18)1-2-13(14)17/h1-2,7-9,12H,3-6H2
InChIKeyKPDWSILGSVZVEA-UHFFFAOYSA-N
MW431.10 g/mol
LogP4.19
Rot. Bonds3

About 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine

5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine (PubChem CID 68820780) has the molecular formula C15H14Br2FN3O and a molecular weight of 431.10 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine
PubChem CID68820780
Molecular FormulaC15H14Br2FN3O
Molecular Weight431.10 g/mol
Exact Mass428.95
IUPAC Name5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine
SMILESFc1ccc(Br)c(OC2CCN(c3ncc(Br)cn3)CC2)c1
InChIInChI=1S/C15H14Br2FN3O/c16-10-8-19-15(20-9-10)21-5-3-12(4-6-21)22-14-7-11(18)1-2-13(14)17/h1-2,7-9,12H,3-6H2
InChIKeyKPDWSILGSVZVEA-UHFFFAOYSA-N
XLogP4.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.10
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 146078517
2-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]triazolo[4,5-d]pyrimidin-2-yl]acetic acid
CID 25204790
5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
CID 68711846
2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 56671917
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
CID 59525009
2-[[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-methylamino]-2-methoxybutanoic acid
CID 67534262
3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 66696800
3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride
CID 67300218
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazine
CID 53493919
5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 141208894
1-(4-bromo-3-fluorophenyl)-4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-6-oxopyridazine-3-carbaldehyde
CID 163918464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine (CID 68820780) is 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine is Fc1ccc(Br)c(OC2CCN(c3ncc(Br)cn3)CC2)c1.
What is the InChIKey of 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine?
The InChIKey is KPDWSILGSVZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN3O/c16-10-8-19-15(20-9-10)21-5-3-12(4-6-21)22-14-7-11(18)1-2-13(14)17/h1-2,7-9,12H,3-6H2.
What are the key properties of 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine?
5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine has a molecular weight of 431.10 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 68820780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).