2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone

C15H21ClN2O2S — CID 118767630

IUPAC2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
SMILESCSCCN1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2S/c1-21-11-10-17-6-8-18(9-7-17)15(20)14(19)12-2-4-13(16)5-3-12/h2-5,14,19H,6-11H2,1H3
InChIKeyHOGKPZBAGVWAKY-UHFFFAOYSA-N
MW328.86 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone (PubChem CID 118767630) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
PubChem CID118767630
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
SMILESCSCCN1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2S/c1-21-11-10-17-6-8-18(9-7-17)15(20)14(19)12-2-4-13(16)5-3-12/h2-5,14,19H,6-11H2,1H3
InChIKeyHOGKPZBAGVWAKY-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119321787
9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97133136
(2R)-2-[4-[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 97184931
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
N-[1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]ethanesulfonamide
CID 56538627
1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
CID 110301107
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550
tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate
CID 171677104

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone (CID 118767630) is 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone is CSCCN1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The InChIKey is HOGKPZBAGVWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-21-11-10-17-6-8-18(9-7-17)15(20)14(19)12-2-4-13(16)5-3-12/h2-5,14,19H,6-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone has a molecular weight of 328.86 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 118767630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).