(5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone

C19H22ClNO2S — CID 24793029

IUPAC(5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCC(CO)(CCc2ccccc2)C1
InChIInChI=1S/C19H22ClNO2S/c20-17-8-7-16(24-17)18(23)21-12-4-10-19(13-21,14-22)11-9-15-5-2-1-3-6-15/h1-3,5-8,22H,4,9-14H2
InChIKeyZEVINCXZAJKONS-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.25
Rot. Bonds5

About (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 24793029) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID24793029
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name(5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCC(CO)(CCc2ccccc2)C1
InChIInChI=1S/C19H22ClNO2S/c20-17-8-7-16(24-17)18(23)21-12-4-10-19(13-21,14-22)11-9-15-5-2-1-3-6-15/h1-3,5-8,22H,4,9-14H2
InChIKeyZEVINCXZAJKONS-UHFFFAOYSA-N
XLogP4.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylol-3-phenethyl-piperidino)-(2-thienyl)methanone
CID 24816681
[1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 24819300
{4-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]piperidin-4-yl}methanol
CID 16188737
{3-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanol
CID 24790078
1-[5-[3-(Hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 24790656
[3-(2-Fluorobenzyl)-3-methylol-piperidino]-(3-methyl-2-thienyl)methanone
CID 24818922
Ethyl 4-(2-chlorobenzyl)-1-(3-thienylcarbonyl)-4-piperidinecarboxylate
CID 26318508
Ethyl 4-(4-chlorobenzyl)-1-[(5-methyl-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 25452245
1-(4-{[4-(2-Chlorobenzyl)-4-(hydroxymethyl)-1-piperidinyl]methyl}-2-thienyl)ethanone
CID 25454897
5-chloro-N-[(1-methyl-4-piperidinyl)methyl]-N-(2-phenylethyl)-2-thiophenecarboxamide
CID 25365389
[(3S)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 26398561
5-chloro-N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 49753302

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone (CID 24793029) is (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCCC(CO)(CCc2ccccc2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is ZEVINCXZAJKONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-17-8-7-16(24-17)18(23)21-12-4-10-19(13-21,14-22)11-9-15-5-2-1-3-6-15/h1-3,5-8,22H,4,9-14H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 363.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24793029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).