1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone

C16H19N3O2 — CID 23118279

IUPAC1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C16H19N3O2/c1-13(20)18-9-6-16(21,7-10-18)14-2-4-15(5-3-14)19-11-8-17-12-19/h2-5,8,11-12,21H,6-7,9-10H2,1H3
InChIKeyDWHXDXPGGQOOCF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.70
Rot. Bonds2

About 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone

1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone (PubChem CID 23118279) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
PubChem CID23118279
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C16H19N3O2/c1-13(20)18-9-6-16(21,7-10-18)14-2-4-15(5-3-14)19-11-8-17-12-19/h2-5,8,11-12,21H,6-7,9-10H2,1H3
InChIKeyDWHXDXPGGQOOCF-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
CID 117394133
(4-imidazol-1-ylphenyl) acetate
CID 594823
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
2-acetyl-8-(4-imidazol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 131647405
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
CID 117327392
1-[4-(3-imidazol-1-yl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 118952426
3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978665
(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone (CID 23118279) is 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(O)(c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone?
The InChIKey is DWHXDXPGGQOOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13(20)18-9-6-16(21,7-10-18)14-2-4-15(5-3-14)19-11-8-17-12-19/h2-5,8,11-12,21H,6-7,9-10H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone?
1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 23118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).