1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine

C18H26F2N2O — CID 126769654

IUPAC1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
SMILESCC1(C)Cc2cccc(CNC3CCN(CC(F)F)CC3)c2O1
InChIInChI=1S/C18H26F2N2O/c1-18(2)10-13-4-3-5-14(17(13)23-18)11-21-15-6-8-22(9-7-15)12-16(19)20/h3-5,15-16,21H,6-12H2,1-2H3
InChIKeyDIFKMILGYQBCRL-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.22
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine

1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine (PubChem CID 126769654) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
PubChem CID126769654
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC Name1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
SMILESCC1(C)Cc2cccc(CNC3CCN(CC(F)F)CC3)c2O1
InChIInChI=1S/C18H26F2N2O/c1-18(2)10-13-4-3-5-14(17(13)23-18)11-21-15-6-8-22(9-7-15)12-16(19)20/h3-5,15-16,21H,6-12H2,1-2H3
InChIKeyDIFKMILGYQBCRL-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 126793331
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thian-4-amine
CID 115641639
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 126777889
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
CID 64506591
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115299994
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611655
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine (CID 126769654) is 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine is CC1(C)Cc2cccc(CNC3CCN(CC(F)F)CC3)c2O1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
The InChIKey is DIFKMILGYQBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-18(2)10-13-4-3-5-14(17(13)23-18)11-21-15-6-8-22(9-7-15)12-16(19)20/h3-5,15-16,21H,6-12H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine has a molecular weight of 324.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 126769654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).