4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine

C12H18F2N2 — CID 146676174

IUPAC4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1N1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2/c1-9-8-10(15)2-3-11(9)16-6-4-12(13,14)5-7-16/h2-3,9H,4-8,15H2,1H3
InChIKeyZBTATNSEYWHIOZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.48
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine

4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 146676174) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID146676174
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1N1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2/c1-9-8-10(15)2-3-11(9)16-6-4-12(13,14)5-7-16/h2-3,9H,4-8,15H2,1H3
InChIKeyZBTATNSEYWHIOZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Piperidin-4-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 69099444
2-Piperidin-4-yl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 69099446
(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
1-[(3Z,5E)-7,7,7-trifluoro-6-methyl-3-piperidin-4-ylhepta-1,3,5-trien-2-yl]piperidine
CID 126750716
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
CID 137483340
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 144808707
1-(5-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 146265962

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine (CID 146676174) is 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine is CC1CC(N)=CC=C1N1CCC(F)(F)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is ZBTATNSEYWHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-9-8-10(15)2-3-11(9)16-6-4-12(13,14)5-7-16/h2-3,9H,4-8,15H2,1H3.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 228.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 146676174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).