1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine

C24H27F4N3 — CID 90070286

IUPAC1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(F)cc(-c2cncc(C3=CCC(C(F)(F)F)CC3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H27F4N3/c1-15-10-17(12-19(25)11-15)22-14-30-13-21(23(22)31-8-6-20(29)7-9-31)16-2-4-18(5-3-16)24(26,27)28/h2,10-14,18,20H,3-9,29H2,1H3
InChIKeyQNZPIVPMJOLRAO-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.87
Rot. Bonds3

About 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine

1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine (PubChem CID 90070286) has the molecular formula C24H27F4N3 and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine
PubChem CID90070286
Molecular FormulaC24H27F4N3
Molecular Weight433.49 g/mol
Exact Mass433.21
IUPAC Name1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(F)cc(-c2cncc(C3=CCC(C(F)(F)F)CC3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H27F4N3/c1-15-10-17(12-19(25)11-15)22-14-30-13-21(23(22)31-8-6-20(29)7-9-31)16-2-4-18(5-3-16)24(26,27)28/h2,10-14,18,20H,3-9,29H2,1H3
InChIKeyQNZPIVPMJOLRAO-UHFFFAOYSA-N
XLogP5.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine with MolForge

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Related Compounds

4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methyl]pyridin-3-amine
CID 90070268
1-[3,5-Bis(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 164619752
1-(2-Fluoro-phenyl)-4-[5-(4-fluoro-phenyl)-pyridin-3-ylmethyl]-piperazine
CID 21186115
1-(4-Fluoro-phenyl)-4-[5-(4-fluoro-phenyl)-pyridin-3-ylmethyl]-piperazine
CID 21186192
N-(3,3-Diphenylpropyl)-4-pyridinamine
CID 71139
(3R,4R)-1-pyridin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
CID 49797226
(R)-2-(2,5-difluorophenyl)-1-(1-(6-fluoropyridin-3-yl)piperidin-4-yl)ethanamine
CID 53318865
(R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)piperidin-4-yl)ethanamine
CID 53319067
(R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-4-yl)piperidin-4-yl)ethanamine
CID 53325399
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 73349425
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]ethanamine
CID 73350992
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine
CID 73352464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine (CID 90070286) is 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine is Cc1cc(F)cc(-c2cncc(C3=CCC(C(F)(F)F)CC3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine?
The InChIKey is QNZPIVPMJOLRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3/c1-15-10-17(12-19(25)11-15)22-14-30-13-21(23(22)31-8-6-20(29)7-9-31)16-2-4-18(5-3-16)24(26,27)28/h2,10-14,18,20H,3-9,29H2,1H3.
What are the key properties of 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine?
1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine has a molecular weight of 433.49 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 90070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).