2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone

C19H23NO3 — CID 136539065

IUPAC2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
SMILESCc1cccc(CC2(O)CCN(C(=O)Cc3ccoc3)CC2)c1
InChIInChI=1S/C19H23NO3/c1-15-3-2-4-16(11-15)13-19(22)6-8-20(9-7-19)18(21)12-17-5-10-23-14-17/h2-5,10-11,14,22H,6-9,12-13H2,1H3
InChIKeyXNMYCHKMUXTXNK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.73
Rot. Bonds4

About 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone

2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 136539065) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID136539065
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
SMILESCc1cccc(CC2(O)CCN(C(=O)Cc3ccoc3)CC2)c1
InChIInChI=1S/C19H23NO3/c1-15-3-2-4-16(11-15)13-19(22)6-8-20(9-7-19)18(21)12-17-5-10-23-14-17/h2-5,10-11,14,22H,6-9,12-13H2,1H3
InChIKeyXNMYCHKMUXTXNK-UHFFFAOYSA-N
XLogP2.73
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 174969427
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2S,3R)-2-methyloxan-3-yl]methanone
CID 129480128
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129480129
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 136539060
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 136539054
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 160860615
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone (CID 136539065) is 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone is Cc1cccc(CC2(O)CCN(C(=O)Cc3ccoc3)CC2)c1.
What is the InChIKey of 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is XNMYCHKMUXTXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-3-2-4-16(11-15)13-19(22)6-8-20(9-7-19)18(21)12-17-5-10-23-14-17/h2-5,10-11,14,22H,6-9,12-13H2,1H3.
What are the key properties of 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone?
2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 136539065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).