2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone

C15H19ClFNO — CID 116568506

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2c(F)cccc2Cl)CCCNC1
InChIInChI=1S/C15H19ClFNO/c1-2-15(7-4-8-18-10-15)14(19)9-11-12(16)5-3-6-13(11)17/h3,5-6,18H,2,4,7-10H2,1H3
InChIKeyHJBMGGPUPSKJBP-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone (PubChem CID 116568506) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
PubChem CID116568506
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2c(F)cccc2Cl)CCCNC1
InChIInChI=1S/C15H19ClFNO/c1-2-15(7-4-8-18-10-15)14(19)9-11-12(16)5-3-6-13(11)17/h3,5-6,18H,2,4,7-10H2,1H3
InChIKeyHJBMGGPUPSKJBP-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140449
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568555
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 116576500
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone (CID 116568506) is 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone is CCC1(C(=O)Cc2c(F)cccc2Cl)CCCNC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The InChIKey is HJBMGGPUPSKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-2-15(7-4-8-18-10-15)14(19)9-11-12(16)5-3-6-13(11)17/h3,5-6,18H,2,4,7-10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone has a molecular weight of 283.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116568506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).