(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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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).