1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine

C14H21F4N3 — CID 162608490

IUPAC1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2=C(F)CC(N)C=C2C(F)(F)F)CC1
InChIInChI=1S/C14H21F4N3/c1-20(2)10-3-5-21(6-4-10)13-11(14(16,17)18)7-9(19)8-12(13)15/h7,9-10H,3-6,8,19H2,1-2H3
InChIKeyQGEBTJMGLFGIPX-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.41
Rot. Bonds2

About 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine

1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 162608490) has the molecular formula C14H21F4N3 and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID162608490
Molecular FormulaC14H21F4N3
Molecular Weight307.34 g/mol
Exact Mass307.17
IUPAC Name1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2=C(F)CC(N)C=C2C(F)(F)F)CC1
InChIInChI=1S/C14H21F4N3/c1-20(2)10-3-5-21(6-4-10)13-11(14(16,17)18)7-9(19)8-12(13)15/h7,9-10H,3-6,8,19H2,1-2H3
InChIKeyQGEBTJMGLFGIPX-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
N-[(5Z,6E)-3-[(3E,5Z)-6-amino-7,7-difluorohepta-3,5-dien-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085346
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138626042
6-(4-Aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile
CID 142349705
1-(2,6-Difluorocyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 142532234
3-Methyl-1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 143524161
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine (CID 162608490) is 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2=C(F)CC(N)C=C2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is QGEBTJMGLFGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F4N3/c1-20(2)10-3-5-21(6-4-10)13-11(14(16,17)18)7-9(19)8-12(13)15/h7,9-10H,3-6,8,19H2,1-2H3.
What are the key properties of 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine?
1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 307.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 162608490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).