2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride

C20H24Cl2N2OS — CID 119562919

IUPAC2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCNC1CCN(C(=O)C(Sc2ccccc2Cl)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H23ClN2OS.ClH/c1-22-16-11-13-23(14-12-16)20(24)19(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)21;/h2-10,16,19,22H,11-14H2,1H3;1H
InChIKeyQEUWZAJVQFVPDM-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.81
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride

2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119562919) has the molecular formula C20H24Cl2N2OS and a molecular weight of 411.40 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119562919
Molecular FormulaC20H24Cl2N2OS
Molecular Weight411.40 g/mol
Exact Mass410.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCNC1CCN(C(=O)C(Sc2ccccc2Cl)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H23ClN2OS.ClH/c1-22-16-11-13-23(14-12-16)20(24)19(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)21;/h2-10,16,19,22H,11-14H2,1H3;1H
InChIKeyQEUWZAJVQFVPDM-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 119541389
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chlorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 120806362
2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 55832752
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119646747
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
CID 119374247
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 119376277

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119562919) is 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride is CNC1CCN(C(=O)C(Sc2ccccc2Cl)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is QEUWZAJVQFVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS.ClH/c1-22-16-11-13-23(14-12-16)20(24)19(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)21;/h2-10,16,19,22H,11-14H2,1H3;1H.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride?
2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 411.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119562919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).