[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C17H21N3O2 — CID 126820795

IUPAC[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCCC1C(O)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-19-12-18-11-15(19)17(22)20-10-6-5-9-14(20)16(21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,16,21H,5-6,9-10H2,1H3
InChIKeyOXNKLEILISWZNA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.15
Rot. Bonds3

About [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 126820795) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID126820795
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCCC1C(O)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-19-12-18-11-15(19)17(22)20-10-6-5-9-14(20)16(21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,16,21H,5-6,9-10H2,1H3
InChIKeyOXNKLEILISWZNA-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 154867298
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553
[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512063
[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170199
[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170240
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 100647026
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97063463
[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 154761666

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 126820795) is [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCCC1C(O)c1ccccc1.
What is the InChIKey of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is OXNKLEILISWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-12-18-11-15(19)17(22)20-10-6-5-9-14(20)16(21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,16,21H,5-6,9-10H2,1H3.
What are the key properties of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 126820795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).