1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone

C9H16F2N2O — CID 103840913

IUPAC1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
SMILESNCCC1CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H16F2N2O/c10-8(11)9(14)13-6-2-1-3-7(13)4-5-12/h7-8H,1-6,12H2
InChIKeyXSSGQGGUMREBJP-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone

1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone (PubChem CID 103840913) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
PubChem CID103840913
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
SMILESNCCC1CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H16F2N2O/c10-8(11)9(14)13-6-2-1-3-7(13)4-5-12/h7-8H,1-6,12H2
InChIKeyXSSGQGGUMREBJP-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755560
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610326
[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80596527
(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
CID 103513364
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330585

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone (CID 103840913) is 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone is NCCC1CCCCN1C(=O)C(F)F.
What is the InChIKey of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone?
The InChIKey is XSSGQGGUMREBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c10-8(11)9(14)13-6-2-1-3-7(13)4-5-12/h7-8H,1-6,12H2.
What are the key properties of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone?
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone has a molecular weight of 206.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone is sourced from PubChem (CID 103840913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).