2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride

C17H23ClF2N2O — CID 119999492

IUPAC2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(Cc1c(F)cccc1F)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H22F2N2O.ClH/c18-14-3-1-4-15(19)13(14)11-17(22)21-9-6-12(7-10-21)16-5-2-8-20-16;/h1,3-4,12,16,20H,2,5-11H2;1H
InChIKeyVCCCUEBRIPDIAU-UHFFFAOYSA-N
MW344.83 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride

2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119999492) has the molecular formula C17H23ClF2N2O and a molecular weight of 344.83 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119999492
Molecular FormulaC17H23ClF2N2O
Molecular Weight344.83 g/mol
Exact Mass344.15
IUPAC Name2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(Cc1c(F)cccc1F)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H22F2N2O.ClH/c18-14-3-1-4-15(19)13(14)11-17(22)21-9-6-12(7-10-21)16-5-2-8-20-16;/h1,3-4,12,16,20H,2,5-11H2;1H
InChIKeyVCCCUEBRIPDIAU-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999486
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
(2-fluoro-6-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999724
2-(3-nitrophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999431
2-(3-methoxyphenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 119999768
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 119934548
4,4,4-trifluoro-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999728
2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 79515615
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride (CID 119999492) is 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride is Cl.O=C(Cc1c(F)cccc1F)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is VCCCUEBRIPDIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O.ClH/c18-14-3-1-4-15(19)13(14)11-17(22)21-9-6-12(7-10-21)16-5-2-8-20-16;/h1,3-4,12,16,20H,2,5-11H2;1H.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119999492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).