4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol

C22H21BrClN3O — CID 171989067

IUPAC4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3ccc(Br)cc3)CC2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21BrClN3O/c1-15-20(16-2-8-19(24)9-3-16)14-25-21(26-15)27-12-10-22(28,11-13-27)17-4-6-18(23)7-5-17/h2-9,14,28H,10-13H2,1H3
InChIKeyJTBIQQWFQAVFEH-UHFFFAOYSA-N
MW458.79 g/mol
LogP5.36
Rot. Bonds3

About 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol

4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol (PubChem CID 171989067) has the molecular formula C22H21BrClN3O and a molecular weight of 458.79 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
PubChem CID171989067
Molecular FormulaC22H21BrClN3O
Molecular Weight458.79 g/mol
Exact Mass457.06
IUPAC Name4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3ccc(Br)cc3)CC2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21BrClN3O/c1-15-20(16-2-8-19(24)9-3-16)14-25-21(26-15)27-12-10-22(28,11-13-27)17-4-6-18(23)7-5-17/h2-9,14,28H,10-13H2,1H3
InChIKeyJTBIQQWFQAVFEH-UHFFFAOYSA-N
XLogP5.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
CID 56693229
4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 95811440
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 171989063
1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
CID 166335630
4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95128012
1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
CID 133362597
4-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)piperidin-4-ol
CID 163350268
[(3S)-3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 92626111
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide
CID 3543249
1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol
CID 139008893
4-(4-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278304

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol (CID 171989067) is 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol is Cc1nc(N2CCC(O)(c3ccc(Br)cc3)CC2)ncc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
The InChIKey is JTBIQQWFQAVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClN3O/c1-15-20(16-2-8-19(24)9-3-16)14-25-21(26-15)27-12-10-22(28,11-13-27)17-4-6-18(23)7-5-17/h2-9,14,28H,10-13H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol?
4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol has a molecular weight of 458.79 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 171989067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).