2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

C12H18F2N2O — CID 58228074

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(F)(F)CC2)o1
InChIInChI=1S/C12H18F2N2O/c1-9-2-3-11(17-9)10(8-15)16-6-4-12(13,14)5-7-16/h2-3,10H,4-8,15H2,1H3
InChIKeyHWFJLHJLNHRADK-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.32
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 58228074) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID58228074
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(F)(F)CC2)o1
InChIInChI=1S/C12H18F2N2O/c1-9-2-3-11(17-9)10(8-15)16-6-4-12(13,14)5-7-16/h2-3,10H,4-8,15H2,1H3
InChIKeyHWFJLHJLNHRADK-UHFFFAOYSA-N
XLogP2.32
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
2-(Furan-2-yl)piperidine
CID 4715025
3-Cyclobutene-1,2-dione, 3-(methylamino)-4-((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)-
CID 3077650
2-(5-Methylfuran-2-yl)piperidine
CID 17389585
1-(2-Furyl)-N1,N1-dimethyl-1,2-ethanediamine
CID 3754087
N-(Cyclohexylcarbamoyl-furan-2-yl-methyl)-2,2,2-trifluoro-N-(2-methoxy-ethyl)-acetamide
CID 650465
N-cycloheptyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16191237
2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-(2,2,2-trifluoroethyl)acetamide
CID 16192395
N-(2-furfuryl)-N''-[2-(2-furyl)-2-morpholino-ethyl]oxamide
CID 16194947
(2R)-2-(5-methylfuran-2-yl)pyrrolidine
CID 7141656
1-(2-Furylmethyl)piperazine
CID 764716
2-(Furan-2-yl)-2-(piperidin-1-yl)ethan-1-amine
CID 3338092

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (CID 58228074) is 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)N2CCC(F)(F)CC2)o1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is HWFJLHJLNHRADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9-2-3-11(17-9)10(8-15)16-6-4-12(13,14)5-7-16/h2-3,10H,4-8,15H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 244.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 58228074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).