[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C19H23NO2S — CID 24790078

IUPAC[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H23NO2S/c1-15-8-11-23-17(15)18(22)20-10-5-9-19(13-20,14-21)12-16-6-3-2-4-7-16/h2-4,6-8,11,21H,5,9-10,12-14H2,1H3
InChIKeyOPEIZTQATVDESH-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.51
Rot. Bonds4

About [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 24790078) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID24790078
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H23NO2S/c1-15-8-11-23-17(15)18(22)20-10-5-9-19(13-20,14-21)12-16-6-3-2-4-7-16/h2-4,6-8,11,21H,5,9-10,12-14H2,1H3
InChIKeyOPEIZTQATVDESH-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylol-3-phenethyl-piperidino)-(2-thienyl)methanone
CID 24816681
(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24978700
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 899095
[1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 24819300
Ethyl 3-(4-fluorobenzyl)-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinecarboxylate
CID 45192756
3-Phenyl-1-(2-thienylcarbonyl)piperidine
CID 2893479
{4-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]piperidin-4-yl}methanol
CID 16188737
1-[5-[3-(Hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 24790656
[1-[(5-Chloro-2-thienyl)carbonyl]-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 24793029
Ethyl 3-(2-methylbenzyl)-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinecarboxylate
CID 24817222
[3-(2-Fluorobenzyl)-3-methylol-piperidino]-(3-methyl-2-thienyl)methanone
CID 24818922

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 24790078) is [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1.
What is the InChIKey of [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is OPEIZTQATVDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-8-11-23-17(15)18(22)20-10-5-9-19(13-20,14-21)12-16-6-3-2-4-7-16/h2-4,6-8,11,21H,5,9-10,12-14H2,1H3.
What are the key properties of [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 329.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 24790078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).