1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine

C16H24F2N2O — CID 79396570

IUPAC1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccccc2OC(F)F)C(C)C1C
InChIInChI=1S/C16H24F2N2O/c1-4-19-13-9-10-20(12(3)11(13)2)14-7-5-6-8-15(14)21-16(17)18/h5-8,11-13,16,19H,4,9-10H2,1-3H3
InChIKeyTWQYVGFQABYNLU-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.50
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine

1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79396570) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79396570
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccccc2OC(F)F)C(C)C1C
InChIInChI=1S/C16H24F2N2O/c1-4-19-13-9-10-20(12(3)11(13)2)14-7-5-6-8-15(14)21-16(17)18/h5-8,11-13,16,19H,4,9-10H2,1-3H3
InChIKeyTWQYVGFQABYNLU-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396641
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397443
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79397981
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397422
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-[2-(difluoromethoxy)phenyl]-2-ethynylazetidine
CID 166721634
N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine
CID 79408012
2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916181
1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 82868076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79396570) is 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(c2ccccc2OC(F)F)C(C)C1C.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is TWQYVGFQABYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-4-19-13-9-10-20(12(3)11(13)2)14-7-5-6-8-15(14)21-16(17)18/h5-8,11-13,16,19H,4,9-10H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 298.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).