4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol

C21H21N3O — CID 3755818

IUPAC4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol
SMILESOc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H21N3O/c25-18-11-9-17(10-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)24-13-5-2-6-14-24/h1,3-4,7-12,15,25H,2,5-6,13-14H2
InChIKeyLZBUNVKDSYQTBV-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.51
Rot. Bonds3

About 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol

4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol (PubChem CID 3755818) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol
PubChem CID3755818
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol
SMILESOc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H21N3O/c25-18-11-9-17(10-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)24-13-5-2-6-14-24/h1,3-4,7-12,15,25H,2,5-6,13-14H2
InChIKeyLZBUNVKDSYQTBV-UHFFFAOYSA-N
XLogP4.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
2-[2-(4-Methyl-piperazin-1-yl)-3-vinyl-quinolin-4-yl]-phenol
CID 136109175
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
2-(2-Amino-6-phenylpyrimidin-4-yl)phenol
CID 359838
2-(4-(4-Methylpiperidin-1-yl)quinazolin-2-yl)phenol
CID 710985
2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol;hydrochloride
CID 18315831
4,6-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 21812434
4-(4-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129525
3-(2,6-Dimorpholinopyrimidin-4-yl)phenol
CID 50908576

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol?
The IUPAC name of 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol (CID 3755818) is 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol.
What is the SMILES notation for 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol?
The canonical SMILES for 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol is Oc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol?
The InChIKey is LZBUNVKDSYQTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-18-11-9-17(10-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)24-13-5-2-6-14-24/h1,3-4,7-12,15,25H,2,5-6,13-14H2.
What are the key properties of 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol?
4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol has a molecular weight of 331.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol is sourced from PubChem (CID 3755818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).