3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

C16H22F2N2O — CID 103915795

IUPAC3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C16H22F2N2O/c1-12(13-6-5-7-14(17)16(13)18)19-9-8-15(21)20-10-3-2-4-11-20/h5-7,12,19H,2-4,8-11H2,1H3
InChIKeyZMJBJUGNQSGVNQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.02
Rot. Bonds5

About 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 103915795) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID103915795
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C16H22F2N2O/c1-12(13-6-5-7-14(17)16(13)18)19-9-8-15(21)20-10-3-2-4-11-20/h5-7,12,19H,2-4,8-11H2,1H3
InChIKeyZMJBJUGNQSGVNQ-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103777824
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
3-[[(1R)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100683786
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 103915795) is 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is CC(NCCC(=O)N1CCCCC1)c1cccc(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZMJBJUGNQSGVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-12(13-6-5-7-14(17)16(13)18)19-9-8-15(21)20-10-3-2-4-11-20/h5-7,12,19H,2-4,8-11H2,1H3.
What are the key properties of 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 296.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 103915795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).