Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride

C15H21Cl2NO2S — CID 215590

IUPAC2-piperidin-1-ylethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride
SMILESC1CCN(CC1)CCOC(=O)CSC2=CC=C(C=C2)Cl.Cl
InChIInChI=1S/C15H20ClNO2S.ClH/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17;/h4-7H,1-3,8-12H2;1H
InChIKeyWXSLOTKARXEDDX-UHFFFAOYSA-N
MW350.30 g/mol
LogP—
Rot. Bonds7

About Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride

Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride (PubChem CID 215590) has the molecular formula C15H21Cl2NO2S and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride.

Molecular Properties

Compound NameAcetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride
PubChem CID215590
Molecular FormulaC15H21Cl2NO2S
Molecular Weight350.30 g/mol
Exact Mass349.07
IUPAC Name2-piperidin-1-ylethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride
SMILESC1CCN(CC1)CCOC(=O)CSC2=CC=C(C=C2)Cl.Cl
InChIInChI=1S/C15H20ClNO2S.ClH/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17;/h4-7H,1-3,8-12H2;1H
InChIKeyWXSLOTKARXEDDX-UHFFFAOYSA-N
XLogP—
TPSA54.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{3-[(4-Chlorophenyl)thio]propyl}piperidine
CID 16188868
1-(2-{2-[(4-Chlorophenyl)thio]ethoxy}ethyl)-4-methylpiperidine oxalate
CID 2923038
4-{4-[(4-Chlorophenyl)thio]butyl}morpholine oxalate
CID 2923637
4-(2-{2-[(4-Chlorophenyl)thio]ethoxy}ethyl)morpholine oxalate
CID 2924336
1-(2-{2-[(4-Chlorophenyl)thio]ethoxy}ethyl)piperidine oxalate
CID 2924458
4-(2-{2-[(4-Chlorophenyl)thio]ethoxy}ethyl)-2,6-dimethylmorpholine oxalate
CID 2935107
1-(2-{2-[(4-Chlorophenyl)thio]ethoxy}ethyl)-3,5-dimethylpiperidine oxalate
CID 2935532
1-(2-{2-[(4-Chlorophenyl)thio]ethoxy}ethyl)azepane oxalate
CID 2944033
Ethyl 1-{3-[(4-chlorophenyl)thio]propyl}-4-piperidinecarboxylate hydrochloride
CID 6461141
2-[(2-Chlorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486400
Acetic acid, ((4-chlorophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
CID 55470
2-((4-Chlorophenyl)thio)-1-morpholinoethan-1-one
CID 879920

Frequently Asked Questions

What is the IUPAC name of Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
The IUPAC name of Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride (CID 215590) is 2-piperidin-1-ylethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride.
What is the SMILES notation for Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
The canonical SMILES for Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride is C1CCN(CC1)CCOC(=O)CSC2=CC=C(C=C2)Cl.Cl.
What is the InChIKey of Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
The InChIKey is WXSLOTKARXEDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S.ClH/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17;/h4-7H,1-3,8-12H2;1H.
What are the key properties of Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride has a molecular weight of 350.30 g/mol, XLogP of not available, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Acetic acid, ((4-chlorophenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride is sourced from PubChem (CID 215590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).