4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one

C10H18F2N2O — CID 116991427

IUPAC4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-8(13)3-4-9(15)14-6-2-5-10(11,12)7-14/h8H,2-7,13H2,1H3
InChIKeyIEGWOFKRMAGXAI-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one

4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one (PubChem CID 116991427) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
PubChem CID116991427
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-8(13)3-4-9(15)14-6-2-5-10(11,12)7-14/h8H,2-7,13H2,1H3
InChIKeyIEGWOFKRMAGXAI-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
CID 166169448
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
4-(3,3-difluoropiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 116991467
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
2-[4-(4-aminopentanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 120564514
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one (CID 116991427) is 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one is CC(N)CCC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one?
The InChIKey is IEGWOFKRMAGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-8(13)3-4-9(15)14-6-2-5-10(11,12)7-14/h8H,2-7,13H2,1H3.
What are the key properties of 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one?
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 116991427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).