1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine

C16H24F2N2 — CID 167025713

IUPAC1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC1=CC(F)=C(N2CCC(N(C)C)CC2)C(CF)=CC1
InChIInChI=1S/C16H24F2N2/c1-12-4-5-13(11-17)16(15(18)10-12)20-8-6-14(7-9-20)19(2)3/h5,10,14H,4,6-9,11H2,1-3H3
InChIKeyGARZICIZCQAHIW-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine

1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 167025713) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID167025713
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC1=CC(F)=C(N2CCC(N(C)C)CC2)C(CF)=CC1
InChIInChI=1S/C16H24F2N2/c1-12-4-5-13(11-17)16(15(18)10-12)20-8-6-14(7-9-20)19(2)3/h5,10,14H,4,6-9,11H2,1-3H3
InChIKeyGARZICIZCQAHIW-UHFFFAOYSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
CID 135218442
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-N,1-dimethylpiperidin-4-amine
CID 144962869
1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247180
1-[2-fluoro-4-methyl-7-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 146247321
1-[2-fluoro-4-methyl-6-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 146247331
1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247332
(3Z,5E)-N-(4-cyclohexa-1,5-dien-1-ylbutyl)-N-ethyl-2,4-difluorohepta-1,3,5-trien-3-amine
CID 146754551
5-Ethyl-3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-3-azabicyclo[5.1.0]octa-4,6-diene
CID 153337167
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 155327615
1-[2-fluoro-5-methyl-7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 167025322
1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 167025554

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine (CID 167025713) is 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine is CC1=CC(F)=C(N2CCC(N(C)C)CC2)C(CF)=CC1.
What is the InChIKey of 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is GARZICIZCQAHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-12-4-5-13(11-17)16(15(18)10-12)20-8-6-14(7-9-20)19(2)3/h5,10,14H,4,6-9,11H2,1-3H3.
What are the key properties of 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine?
1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 282.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-7-(fluoromethyl)-4-methylcyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167025713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).