4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

C13H20F3N3 — CID 154185529

IUPAC4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCN1CCC(C2(N)C=CC(N)=CC2C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-19-6-3-9(4-7-19)12(18)5-2-10(17)8-11(12)13(14,15)16/h2,5,8-9,11H,3-4,6-7,17-18H2,1H3
InChIKeyJZSYFHHNINAGBC-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.62
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 154185529) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID154185529
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCN1CCC(C2(N)C=CC(N)=CC2C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-19-6-3-9(4-7-19)12(18)5-2-10(17)8-11(12)13(14,15)16/h2,5,8-9,11H,3-4,6-7,17-18H2,1H3
InChIKeyJZSYFHHNINAGBC-UHFFFAOYSA-N
XLogP1.62
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-4-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,5-diene-1,4-diamine
CID 68644223
3-(1-Methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 90133907
4-(Trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline
CID 118589336
N-fluoro-5-(1-methylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-amine
CID 134365781
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 141206326
4-[3-(Dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 143818286
4-Fluoro-4-(1-methylpiperidin-4-yl)cyclohexa-1,5-dien-1-amine
CID 152035661
4-[2-(dimethylamino)ethyl]-4-N-methyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 154309627
(3E,5E)-N-methyl-6-[4-[1-[4-methyl-3-(trifluoromethyl)pent-1-en-2-yl]piperidin-4-yl]piperidin-1-yl]-3-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 155072722
4-Fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
CID 155197687
2,6-difluoro-1-methyl-5-(2-methylpiperidin-2-yl)-2H-pyridin-4-amine
CID 163635316

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (CID 154185529) is 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is CN1CCC(C2(N)C=CC(N)=CC2C(F)(F)F)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is JZSYFHHNINAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19-6-3-9(4-7-19)12(18)5-2-10(17)8-11(12)13(14,15)16/h2,5,8-9,11H,3-4,6-7,17-18H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).