2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C14H20ClFN2O — CID 119260723

IUPAC2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccccc2F)CC1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-12-6-8-17(9-7-12)14(18)10-11-4-2-3-5-13(11)15;/h2-5,12,16H,6-10H2,1H3;1H
InChIKeyDLYHXVXAJOAOGL-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119260723) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119260723
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccccc2F)CC1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-12-6-8-17(9-7-12)14(18)10-11-4-2-3-5-13(11)15;/h2-5,12,16H,6-10H2,1H3;1H
InChIKeyDLYHXVXAJOAOGL-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 114506383
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849
2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119260723) is 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)Cc2ccccc2F)CC1.Cl.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is DLYHXVXAJOAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-16-12-6-8-17(9-7-12)14(18)10-11-4-2-3-5-13(11)15;/h2-5,12,16H,6-10H2,1H3;1H.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119260723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).