1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one

C19H21ClN2OS — CID 78782073

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2OS/c20-17-8-4-5-9-18(17)21-11-13-22(14-12-21)19(23)10-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyOYCLKXZKTINKCK-UHFFFAOYSA-N
MW360.91 g/mol
LogP4.17
Rot. Bonds5

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one (PubChem CID 78782073) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
PubChem CID78782073
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2OS/c20-17-8-4-5-9-18(17)21-11-13-22(14-12-21)19(23)10-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyOYCLKXZKTINKCK-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
1-(4-cyclopropylidenepiperidin-1-yl)-3-phenylsulfanylpropan-1-one
CID 121186879
1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 41027582
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121060504
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one
CID 41085989
3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78777482
4-(4-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 60629339
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one (CID 78782073) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
The InChIKey is OYCLKXZKTINKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c20-17-8-4-5-9-18(17)21-11-13-22(14-12-21)19(23)10-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one has a molecular weight of 360.91 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 78782073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).