2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone

C16H21Cl2NO — CID 116569754

IUPAC2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCNC1
InChIInChI=1S/C16H21Cl2NO/c1-2-6-16(7-3-8-19-11-16)15(20)10-12-9-13(17)4-5-14(12)18/h4-5,9,19H,2-3,6-8,10-11H2,1H3
InChIKeyGASIEZSWDYYXLQ-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.27
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone

2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 116569754) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID116569754
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCNC1
InChIInChI=1S/C16H21Cl2NO/c1-2-6-16(7-3-8-19-11-16)15(20)10-12-9-13(17)4-5-14(12)18/h4-5,9,19H,2-3,6-8,10-11H2,1H3
InChIKeyGASIEZSWDYYXLQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Chloro-4-methylphenyl)(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)methanone
CID 49866095
1-(3,4-Dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride
CID 71727886
1-(3,4-Dichlorophenyl)-1-piperidin-4-ylbutan-2-one;hydrochloride
CID 71727888
1-(3,4-Dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride
CID 71727890
Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 41069
1-Propanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 204159
1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 41071
Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride
CID 43977
1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride
CID 43979
1-Pentanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 3041621
1-[4-(3-Chlorophenyl)piperidin-4-yl]ethanone
CID 41070
1-[4-(3-Chlorophenyl)piperidin-4-yl]propan-1-one
CID 204160

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone (CID 116569754) is 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone is CCCC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCNC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is GASIEZSWDYYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-2-6-16(7-3-8-19-11-16)15(20)10-12-9-13(17)4-5-14(12)18/h4-5,9,19H,2-3,6-8,10-11H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone?
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 314.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).