(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate

C19H19Cl2NO2S — CID 167316198

IUPAC(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(Cl)ccc1Cl)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C19H19Cl2NO2S/c20-15-6-7-16(21)17(12-15)25-13-18(23)24-19(8-10-22-11-9-19)14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyNJWLAUIMRVKMQC-UHFFFAOYSA-N
MW396.34 g/mol
LogP4.91
Rot. Bonds5

About (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate

(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 167316198) has the molecular formula C19H19Cl2NO2S and a molecular weight of 396.34 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID167316198
Molecular FormulaC19H19Cl2NO2S
Molecular Weight396.34 g/mol
Exact Mass395.05
IUPAC Name(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(Cl)ccc1Cl)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C19H19Cl2NO2S/c20-15-6-7-16(21)17(12-15)25-13-18(23)24-19(8-10-22-11-9-19)14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyNJWLAUIMRVKMQC-UHFFFAOYSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 2,4,6-trichlorobenzoate
CID 167316403
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 4-chloro-2-methoxybenzoate
CID 167315777
(4-phenylpiperidin-4-yl) 2,3-dichloropropanoate
CID 167315272
9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701638
(4-phenylpiperidin-4-yl) 2,3,4,5-tetrachlorobenzoate
CID 167316206
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
CID 167314891
(4-phenylpiperidin-4-yl) 7-bromoheptanoate
CID 167314725
(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
(4-phenylpiperidin-4-yl) 5-phenylpentanoate
CID 167316142

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate (CID 167316198) is (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate is O=C(CSc1cc(Cl)ccc1Cl)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is NJWLAUIMRVKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2S/c20-15-6-7-16(21)17(12-15)25-13-18(23)24-19(8-10-22-11-9-19)14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2.
What are the key properties of (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate?
(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 396.34 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 167316198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).