[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone

C18H21NO3 — CID 86768608

IUPAC[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1cccc(C2(O)CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C18H21NO3/c1-13-5-3-6-15(14(13)2)18(21)8-10-19(11-9-18)17(20)16-7-4-12-22-16/h3-7,12,21H,8-11H2,1-2H3
InChIKeyQMBOOAIPUYGDOU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.02
Rot. Bonds2

About [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone

[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 86768608) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone
PubChem CID86768608
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1cccc(C2(O)CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C18H21NO3/c1-13-5-3-6-15(14(13)2)18(21)8-10-19(11-9-18)17(20)16-7-4-12-22-16/h3-7,12,21H,8-11H2,1-2H3
InChIKeyQMBOOAIPUYGDOU-UHFFFAOYSA-N
XLogP3.02
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone (CID 86768608) is [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone is Cc1cccc(C2(O)CCN(C(=O)c3ccco3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QMBOOAIPUYGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-5-3-6-15(14(13)2)18(21)8-10-19(11-9-18)17(20)16-7-4-12-22-16/h3-7,12,21H,8-11H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone?
[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 86768608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).