1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone

C13H15F2NO — CID 43227135

IUPAC1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO/c14-10-4-5-11(12(15)8-10)13(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChIKeyMNCROIAJNMFLJS-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone

1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone (PubChem CID 43227135) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
PubChem CID43227135
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO/c14-10-4-5-11(12(15)8-10)13(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChIKeyMNCROIAJNMFLJS-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366677
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62091099
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 62029233
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43228924
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
CID 62053520
1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone (CID 43227135) is 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone?
The InChIKey is MNCROIAJNMFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-4-5-11(12(15)8-10)13(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone?
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone has a molecular weight of 239.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 43227135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).