[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C19H24N2O2S — CID 111476671

IUPAC[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(O)CN2CCN(C(=O)c3ccc(C)s3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14-3-6-16(7-4-14)17(22)13-20-9-11-21(12-10-20)19(23)18-8-5-15(2)24-18/h3-8,17,22H,9-13H2,1-2H3
InChIKeyWISJCBSQQXPZAE-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.86
Rot. Bonds4

About [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 111476671) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID111476671
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(O)CN2CCN(C(=O)c3ccc(C)s3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14-3-6-16(7-4-14)17(22)13-20-9-11-21(12-10-20)19(23)18-8-5-15(2)24-18/h3-8,17,22H,9-13H2,1-2H3
InChIKeyWISJCBSQQXPZAE-UHFFFAOYSA-N
XLogP2.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55871645
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120847972
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55975854
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95346732
[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 31559920
[4-[(2S)-2-[4-[(2S)-butan-2-yl]phenyl]-2-hydroxyethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 8005079
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 111476671) is [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(O)CN2CCN(C(=O)c3ccc(C)s3)CC2)cc1.
What is the InChIKey of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is WISJCBSQQXPZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-3-6-16(7-4-14)17(22)13-20-9-11-21(12-10-20)19(23)18-8-5-15(2)24-18/h3-8,17,22H,9-13H2,1-2H3.
What are the key properties of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 111476671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).