2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone

C13H15Cl2NO — CID 116547963

IUPAC2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C13H15Cl2NO/c14-11-4-1-5-12(15)10(11)7-13(17)9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6-8H2
InChIKeyZOQFWDZDMDCGAJ-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.10
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone

2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone (PubChem CID 116547963) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
PubChem CID116547963
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C13H15Cl2NO/c14-11-4-1-5-12(15)10(11)7-13(17)9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6-8H2
InChIKeyZOQFWDZDMDCGAJ-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
CID 102865083
1-(azepan-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 115007029
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105086176
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone
CID 173077623
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone (CID 116547963) is 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone is O=C(Cc1c(Cl)cccc1Cl)C1CCCNC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone?
The InChIKey is ZOQFWDZDMDCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-11-4-1-5-12(15)10(11)7-13(17)9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6-8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone?
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone has a molecular weight of 272.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116547963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).