1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one

C20H25NO2S — CID 111459544

IUPAC1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
SMILESCC(Cc1cccs1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c1-15(14-18-8-5-13-24-18)20(23)21-11-9-17(10-12-21)19(22)16-6-3-2-4-7-16/h2-8,13,15,17,19,22H,9-12,14H2,1H3
InChIKeyHHAHKPPMCDPXDZ-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.90
Rot. Bonds5

About 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one

1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one (PubChem CID 111459544) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
PubChem CID111459544
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
SMILESCC(Cc1cccs1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c1-15(14-18-8-5-13-24-18)20(23)21-11-9-17(10-12-21)19(22)16-6-3-2-4-7-16/h2-8,13,15,17,19,22H,9-12,14H2,1H3
InChIKeyHHAHKPPMCDPXDZ-UHFFFAOYSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111560882
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
(2R)-1-[(5S)-5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 97261393
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
3-methyl-1-(2-methyl-3-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119257607
(3R)-3-methyl-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124693497

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one (CID 111459544) is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one is CC(Cc1cccs1)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one?
The InChIKey is HHAHKPPMCDPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(14-18-8-5-13-24-18)20(23)21-11-9-17(10-12-21)19(22)16-6-3-2-4-7-16/h2-8,13,15,17,19,22H,9-12,14H2,1H3.
What are the key properties of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one?
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one has a molecular weight of 343.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 111459544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).