[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

C14H20N2O2S — CID 43415619

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-19-13-4-2-12(3-5-13)14(18)16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-11H2,1H3
InChIKeyCHOIRIGKLQNNDR-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.16
Rot. Bonds4

About [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 43415619) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID43415619
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-19-13-4-2-12(3-5-13)14(18)16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-11H2,1H3
InChIKeyCHOIRIGKLQNNDR-UHFFFAOYSA-N
XLogP1.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
CID 78833524
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 27846514
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 43393803
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
(4-methylsulfanylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815727
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 78902945
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 43415619) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is CHOIRIGKLQNNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19-13-4-2-12(3-5-13)14(18)16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-11H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 280.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 43415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).